1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one

Systemtic Name: 1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one Openeye Name: 1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one CAS Name: 1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-9-one IUPAC Name: 1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one Traditional Name: 1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-9-one Formula: C20H22O4S MolecularWeight: 358.45128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCCC3=CC(=O)C(=CC=C32)SC)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CCCC3=CC(=O)C(=CC=C32)SC)OC)OC

InChI

InChI=1S/C20H22O4S/c1-22-16-11-13-7-5-6-12-10-15(21)17(25-4)9-8-14(12)18(13)20(24-3)19(16)23-2/h8-11H,5-7H2,1-4H3