4-[(S)-[(3S)-3-methyl-3-oxidanyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-oxidanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[(S)-[(3S)-3-methyl-3-oxidanyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-oxidanyl-methyl]benzenecarbonitrile Openeye Name: 4-[(S)-hydroxy-[(3S)-3-hydroxy-3-methyl-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]benzonitrile CAS Name: 4-[(S)-hydroxy-[(3S)-3-hydroxy-3-methyl-6-oxo-1-cyclohexa-1,4-dienyl]methyl]benzonitrile IUPAC Name: 4-[(S)-hydroxy-[(3S)-3-hydroxy-3-methyl-6-oxocyclohexa-1,4-dien-1-yl]methyl]benzonitrile Traditional Name: 4-[(S)-hydroxy-[(3S)-3-hydroxy-6-keto-3-methyl-cyclohexa-1,4-dien-1-yl]methyl]benzonitrile Formula: C15H13NO3 MolecularWeight: 255.26862

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=O)C(=C1)C(C2=CC=C(C=C2)C#N)O)O

Isomeric SMILES

C[C@@]1(C=CC(=O)C(=C1)[C@H](C2=CC=C(C=C2)C#N)O)O

InChI

InChI=1S/C15H13NO3/c1-15(19)7-6-13(17)12(8-15)14(18)11-4-2-10(9-16)3-5-11/h2-8,14,18-19H,1H3/t14-,15-/m0/s1