3a-methyl-7-(phenylsulfanylmethyl)-5,6-dihydro-4H-indene-1,3-dione

Systemtic Name: 3a-methyl-7-(phenylsulfanylmethyl)-5,6-dihydro-4H-indene-1,3-dione Openeye Name: 3a-methyl-7-(phenylsulfanylmethyl)-5,6-dihydro-4H-indene-1,3-dione CAS Name: 3a-methyl-7-[(phenylthio)methyl]-5,6-dihydro-4H-indene-1,3-dione IUPAC Name: 3a-methyl-7-(phenylsulfanylmethyl)-5,6-dihydro-4H-indene-1,3-dione Traditional Name: 3a-methyl-7-[(phenylthio)methyl]-5,6-dihydro-4H-indene-1,3-quinone Formula: C17H18O2S MolecularWeight: 286.38862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(=C1C(=O)CC2=O)CSC3=CC=CC=C3

Isomeric SMILES

CC12CCCC(=C1C(=O)CC2=O)CSC3=CC=CC=C3

InChI

InChI=1S/C17H18O2S/c1-17-9-5-6-12(16(17)14(18)10-15(17)19)11-20-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3