(phenylmethyl) 9-[2-cyclopentyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]decanoate

Systemtic Name: (phenylmethyl) 9-[2-cyclopentyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]decanoate Openeye Name: benzyl 9-(2-cyclopentyl-1,3-dioxo-isoindolin-2-ium-2-yl)decanoate CAS Name: 9-(2-cyclopentyl-1,3-dioxo-2-isoindol-2-iumyl)decanoic acid (phenylmethyl) ester IUPAC Name: benzyl 9-(2-cyclopentyl-1,3-dioxoisoindol-2-ium-2-yl)decanoate Traditional Name: 9-(2-cyclopentyl-1,3-diketo-isoindolin-2-ium-2-yl)capric acid benzyl ester Formula: C30H38NO4+ MolecularWeight: 476.62702

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCC(=O)OCC1=CC=CC=C1)[N+]2(C(=O)C3=CC=CC=C3C2=O)C4CCCC4

Isomeric SMILES

CC(CCCCCCCC(=O)OCC1=CC=CC=C1)[N+]2(C(=O)C3=CC=CC=C3C2=O)C4CCCC4

InChI

InChI=1S/C30H38NO4/c1-23(14-6-3-2-4-9-21-28(32)35-22-24-15-7-5-8-16-24)31(25-17-10-11-18-25)29(33)26-19-12-13-20-27(26)30(31)34/h5,7-8,12-13,15-16,19-20,23,25H,2-4,6,9-11,14,17-18,21-22H2,1H3/q+1