7,7-dimethyl-4-(4-methylsulfanylphenyl)-3,4,6,8-tetrahydrochromene-2,5-dione

Systemtic Name: 7,7-dimethyl-4-(4-methylsulfanylphenyl)-3,4,6,8-tetrahydrochromene-2,5-dione Openeye Name: 7,7-dimethyl-4-(4-methylsulfanylphenyl)-3,4,6,8-tetrahydrochromene-2,5-dione CAS Name: 7,7-dimethyl-4-[4-(methylthio)phenyl]-3,4,6,8-tetrahydro-1-benzopyran-2,5-dione IUPAC Name: 7,7-dimethyl-4-(4-methylsulfanylphenyl)-3,4,6,8-tetrahydrochromene-2,5-dione Traditional Name: 7,7-dimethyl-4-[4-(methylthio)phenyl]-3,4,6,8-tetrahydrochromene-2,5-quinone Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(CC(=O)O2)C3=CC=C(C=C3)SC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(CC(=O)O2)C3=CC=C(C=C3)SC)C(=O)C1)C

InChI

InChI=1S/C18H20O3S/c1-18(2)9-14(19)17-13(8-16(20)21-15(17)10-18)11-4-6-12(22-3)7-5-11/h4-7,13H,8-10H2,1-3H3