(3S)-3-(2-azanylidene-4,4-dimethyl-6-oxidanylidene-cyclohexyl)-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-(2-azanylidene-4,4-dimethyl-6-oxidanylidene-cyclohexyl)-3H-2-benzofuran-1-one Openeye Name: (3S)-3-(2-imino-4,4-dimethyl-6-oxo-cyclohexyl)-3H-isobenzofuran-1-one CAS Name: (3S)-3-(2-imino-4,4-dimethyl-6-oxocyclohexyl)-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-(2-imino-4,4-dimethyl-6-oxocyclohexyl)-3H-2-benzofuran-1-one Traditional Name: (3S)-3-(2-imino-6-keto-4,4-dimethyl-cyclohexyl)phthalide Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=N)C(C(=O)C1)C2C3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

CC1(CC(=N)C(C(=O)C1)[C@H]2C3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C16H17NO3/c1-16(2)7-11(17)13(12(18)8-16)14-9-5-3-4-6-10(9)15(19)20-14/h3-6,13-14,17H,7-8H2,1-2H3/t13?,14-/m1/s1