2-[[7-methoxy-3-oxidanylidene-4,4-bis(phenylsulfanyl)-1,2-dihydronaphthalen-2-yl]methyl]prop-2-enoic acid

Systemtic Name: 2-[[7-methoxy-3-oxidanylidene-4,4-bis(phenylsulfanyl)-1,2-dihydronaphthalen-2-yl]methyl]prop-2-enoic acid Openeye Name: 2-[[7-methoxy-3-oxo-4,4-bis(phenylsulfanyl)tetralin-2-yl]methyl]prop-2-enoic acid CAS Name: 2-[[7-methoxy-3-oxo-4,4-bis(phenylthio)-1,2-dihydronaphthalen-2-yl]methyl]-2-propenoic acid IUPAC Name: 2-[[7-methoxy-3-oxo-4,4-bis(phenylsulfanyl)-1,2-dihydronaphthalen-2-yl]methyl]prop-2-enoic acid Traditional Name: 2-[[3-keto-7-methoxy-4,4-bis(phenylthio)tetralin-2-yl]methyl]acrylic acid Formula: C27H24O4S2 MolecularWeight: 476.60706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(=O)C(C2)CC(=C)C(=O)O)(SC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(C(=O)C(C2)CC(=C)C(=O)O)(SC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C27H24O4S2/c1-18(26(29)30)15-20-16-19-17-21(31-2)13-14-24(19)27(25(20)28,32-22-9-5-3-6-10-22)33-23-11-7-4-8-12-23/h3-14,17,20H,1,15-16H2,2H3,(H,29,30)