(7S)-1,2,3-trimethoxy-7-oxidanyl-10-(phenylmethylsulfanyl)-6,7-dihydro-5H-benzo[a]heptalen-9-one

Systemtic Name: (7S)-1,2,3-trimethoxy-7-oxidanyl-10-(phenylmethylsulfanyl)-6,7-dihydro-5H-benzo[a]heptalen-9-one Openeye Name: (7S)-10-benzylsulfanyl-7-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one CAS Name: (7S)-7-hydroxy-1,2,3-trimethoxy-10-(phenylmethylthio)-6,7-dihydro-5H-benzo[a]heptalen-9-one IUPAC Name: (7S)-10-benzylsulfanyl-7-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Traditional Name: (7S)-10-(benzylthio)-7-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Formula: C26H26O5S MolecularWeight: 450.54664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SCC4=CC=CC=C4)O)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SCC4=CC=CC=C4)O)OC)OC

InChI

InChI=1S/C26H26O5S/c1-29-22-13-17-9-11-20(27)19-14-21(28)23(32-15-16-7-5-4-6-8-16)12-10-18(19)24(17)26(31-3)25(22)30-2/h4-8,10,12-14,20,27H,9,11,15H2,1-3H3/t20-/m0/s1