(7R)-2,3,10-trimethoxy-7-(2-oxidanylidenepropyl)-1-sulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one

Systemtic Name: (7R)-2,3,10-trimethoxy-7-(2-oxidanylidenepropyl)-1-sulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one Openeye Name: (7R)-7-acetonyl-2,3,10-trimethoxy-1-sulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one CAS Name: (7R)-1-mercapto-2,3,10-trimethoxy-7-(2-oxopropyl)-6,7-dihydro-5H-benzo[a]heptalen-9-one IUPAC Name: (7R)-2,3,10-trimethoxy-7-(2-oxopropyl)-1-sulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one Traditional Name: (7R)-7-acetonyl-1-mercapto-2,3,10-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Formula: C22H24O5S MolecularWeight: 400.48796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)S)OC)OC

Isomeric SMILES

CC(=O)C[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)S)OC)OC

InChI

InChI=1S/C22H24O5S/c1-12(23)9-13-5-6-14-10-19(26-3)21(27-4)22(28)20(14)15-7-8-18(25-2)17(24)11-16(13)15/h7-8,10-11,13,28H,5-6,9H2,1-4H3/t13-/m1/s1