3-(4-methyl-3-oxidanyl-phenyl)-6-oxidanylidene-3,3a,4,5-tetrahydro-1H-isoindole-2-carbaldehyde

Systemtic Name: 3-(4-methyl-3-oxidanyl-phenyl)-6-oxidanylidene-3,3a,4,5-tetrahydro-1H-isoindole-2-carbaldehyde Openeye Name: 3-(3-hydroxy-4-methyl-phenyl)-6-oxo-3,3a,4,5-tetrahydro-1H-isoindole-2-carbaldehyde CAS Name: 3-(3-hydroxy-4-methylphenyl)-6-oxo-3,3a,4,5-tetrahydro-1H-isoindole-2-carboxaldehyde IUPAC Name: 3-(3-hydroxy-4-methylphenyl)-6-oxo-3,3a,4,5-tetrahydro-1H-isoindole-2-carbaldehyde Traditional Name: 3-(3-hydroxy-4-methyl-phenyl)-6-keto-3,3a,4,5-tetrahydro-1H-isoindole-2-carbaldehyde Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2C3CCC(=O)C=C3CN2C=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2C3CCC(=O)C=C3CN2C=O)O

InChI

InChI=1S/C16H17NO3/c1-10-2-3-11(7-15(10)20)16-14-5-4-13(19)6-12(14)8-17(16)9-18/h2-3,6-7,9,14,16,20H,4-5,8H2,1H3