(3aS,7aS)-5-methyl-2-(2-methyl-4-oxidanyl-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,7aS)-5-methyl-2-(2-methyl-4-oxidanyl-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,7aS)-2-(4-hydroxy-2-methyl-phenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,7aS)-2-(4-hydroxy-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,7aS)-2-(4-hydroxy-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,7aS)-2-(4-hydroxy-2-methyl-phenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)C3=C(C=C(C=C3)O)C

Isomeric SMILES

CC1=CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=C(C=C(C=C3)O)C

InChI

InChI=1S/C16H17NO3/c1-9-3-5-12-13(7-9)16(20)17(15(12)19)14-6-4-11(18)8-10(14)2/h3-4,6,8,12-13,18H,5,7H2,1-2H3/t12-,13-/m0/s1