6-methoxy-5-methyl-8a-phenylsulfanyl-3,4,4a,5-tetrahydroisochromene-1,8-dione

Systemtic Name: 6-methoxy-5-methyl-8a-phenylsulfanyl-3,4,4a,5-tetrahydroisochromene-1,8-dione Openeye Name: 6-methoxy-5-methyl-8a-phenylsulfanyl-3,4,4a,5-tetrahydroisochromene-1,8-dione CAS Name: 6-methoxy-5-methyl-8a-(phenylthio)-3,4,4a,5-tetrahydro-2-benzopyran-1,8-dione IUPAC Name: 6-methoxy-5-methyl-8a-phenylsulfanyl-3,4,4a,5-tetrahydroisochromene-1,8-dione Traditional Name: 6-methoxy-5-methyl-8a-(phenylthio)-3,4,4a,5-tetrahydroisochromene-1,8-quinone Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CCOC(=O)C2(C(=O)C=C1OC)SC3=CC=CC=C3

Isomeric SMILES

CC1C2CCOC(=O)C2(C(=O)C=C1OC)SC3=CC=CC=C3

InChI

InChI=1S/C17H18O4S/c1-11-13-8-9-21-16(19)17(13,15(18)10-14(11)20-2)22-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3