4-(3-methoxyphenyl)sulfanyl-7a-methyl-3a-oxidanyl-3,4,6,7-tetrahydro-2H-indene-1,5-dione

Systemtic Name: 4-(3-methoxyphenyl)sulfanyl-7a-methyl-3a-oxidanyl-3,4,6,7-tetrahydro-2H-indene-1,5-dione Openeye Name: 3a-hydroxy-4-(3-methoxyphenyl)sulfanyl-7a-methyl-3,4,6,7-tetrahydro-2H-indene-1,5-dione CAS Name: 3a-hydroxy-4-[(3-methoxyphenyl)thio]-7a-methyl-3,4,6,7-tetrahydro-2H-indene-1,5-dione IUPAC Name: 3a-hydroxy-4-(3-methoxyphenyl)sulfanyl-7a-methyl-3,4,6,7-tetrahydro-2H-indene-1,5-dione Traditional Name: 3a-hydroxy-4-[(3-methoxyphenyl)thio]-7a-methyl-3,4,6,7-tetrahydro-2H-indene-1,5-quinone Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C(C1(CCC2=O)O)SC3=CC=CC(=C3)OC

Isomeric SMILES

CC12CCC(=O)C(C1(CCC2=O)O)SC3=CC=CC(=C3)OC

InChI

InChI=1S/C17H20O4S/c1-16-8-6-13(18)15(17(16,20)9-7-14(16)19)22-12-5-3-4-11(10-12)21-2/h3-5,10,15,20H,6-9H2,1-2H3