4-[[7-[8-[(4-carboxyphenyl)iminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalen-1-yl]methylideneamino]benzoic acid
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![4-[[7-[8-[(4-carboxyphenyl)iminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalen-1-yl]methylideneamino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1978bd17b609400ca1472392a4fb4d2e.png "4-[[7-[8-[(4-carboxyphenyl)iminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalen-1-yl]methylideneamino]benzoic acid")
4-[[7-[8-[(4-carboxyphenyl)iminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalen-1-yl]methylideneamino]benzoic acid
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CAS No:
6952-37-0
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Formula:
C44H40N2O10
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Chemical Name:
4-[[7-[8-[(4-carboxyphenyl)iminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalen-1-yl]methylideneamino]benzoic acid
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Synonyms:
Glossypol di-HOCOPhNCH deriv.;NSC-61822;ZINC150484008;ZINC150484010;ZINC150484012;1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis[(4-carboxyphenyl)iminomethyl][2,2'-binaphthalene];4,4'-[1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-diisopropyl-2,2'-binaphthalene-8,8'-diylbis(methylidynenitrilo)]dibenzoic acid;4-[(E)-[7-[8-[(E)-(4-carboxyphenyl)iminomethyl]-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl]-2,3,8-trihydroxy-4-isopropyl-6-methyl-1-naphthyl]methyleneamino]benzoic acid
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CAS No:
4-[[7-[8-[(4-carboxyphenyl)iminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalen-1-yl]methylideneamino]benzoic acid Basic Attributes
756.8 g/mol
756.26829548 g/mol
61822
Computed Properties
Molecular Weight:756.8
XLogP3:8.6
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:756.26829548
Monoisotopic Mass:756.26829548
Topological Polar Surface Area:221
Heavy Atom Count:56
Complexity:1300
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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