(Z)-but-2-enedioic acid,1'-methylspiro[benzo[c][1,5]benzoxathiepine-6,4'-piperidine]
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![(Z)-but-2-enedioic acid,1'-methylspiro[benzo[c][1,5]benzoxathiepine-6,4'-piperidine] structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4a39e753a5bb4386b51f44d4c3ab3ced.png "(Z)-but-2-enedioic acid,1'-methylspiro[benzo[c][1,5]benzoxathiepine-6,4'-piperidine]")
(Z)-but-2-enedioic acid,1'-methylspiro[benzo[c][1,5]benzoxathiepine-6,4'-piperidine]
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CAS No:
98796-35-1
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Formula:
C22H23NO5S
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Chemical Name:
(Z)-but-2-enedioic acid,1'-methylspiro[benzo[c][1,5]benzoxathiepine-6,4'-piperidine]
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Synonyms:
1'-methylspiro[benzo[c][1,5]benzoxathiepine-6,4'-piperidine]; 1-Methylspiro(piperidine-4,6'-dibenz(b,e)-1,4-oxathiepin) hydrogen maleate; Spiro(11H-dibenz(b,e)(1,4)oxathiepin-11,4'-piperidine),1'-methyl-,(Z)-2-butenedioate (1:1); 1'-Methylspiro(11H-dibenz(b,e)(1,4)oxathiepin-11,4'-piperidine)(Z)-2-butenedioate (1:1);
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CAS No:
(Z)-but-2-enedioic acid,1'-methylspiro[benzo[c][1,5]benzoxathiepine-6,4'-piperidine] Basic Attributes
413.48700
413.12969401
Computed Properties
Molecular Weight:413.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:413.12969401
Monoisotopic Mass:413.12969401
Topological Polar Surface Area:112
Heavy Atom Count:29
Complexity:485
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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