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

Systemtic Name: (7S)-10-ethylsulfanyl-1,2,3-trimethoxy-7-oxidanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one Openeye Name: (7S)-10-ethylsulfanyl-7-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one CAS Name: (7S)-10-(ethylthio)-7-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one IUPAC Name: (7S)-10-ethylsulfanyl-7-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Traditional Name: (7S)-10-(ethylthio)-7-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)O

Isomeric SMILES

CCSC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)O

InChI

InChI=1S/C21H24O5S/c1-5-27-18-9-7-13-14(11-16(18)23)15(22)8-6-12-10-17(24-2)20(25-3)21(26-4)19(12)13/h7,9-11,15,22H,5-6,8H2,1-4H3/t15-/m0/s1