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2-[(7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methylsulfanyl]benzoic acid
2-[(7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methylsulfanyl]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC(=O)N=C1CCC2=C(C=C(OC2C1)O)CSC3=CC=CC=C3C(=O)O
Isomeric SMILES
CC(=O)N=C1CCC2=C(C=C(OC2C1)O)CSC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C19H19NO5S/c1-11(21)20-13-6-7-14-12(8-18(22)25-16(14)9-13)10-26-17-5-3-2-4-15(17)19(23)24/h2-5,8,16,22H,6-7,9-10H2,1H3,(H,23,24)
Other Product
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- 3-(3-hydroxyphenyl)propanoic acid
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