2-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]isoindole-1,3-dione Openeye Name: 2-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-4-oxo-cyclohexa-1,5-dien-1-yl]isoindoline-1,3-dione CAS Name: 2-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-4-oxo-1-cyclohexa-1,5-dienyl]isoindole-1,3-dione IUPAC Name: 2-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-4-oxocyclohexa-1,5-dien-1-yl]isoindole-1,3-dione Traditional Name: 2-[4-keto-6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]cyclohexa-1,5-dien-1-yl]isoindoline-1,3-quinone Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CCCCCC2=CC(=O)CC=C2N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/CCCCC2=CC(=O)CC=C2N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H25NO4/c1-32-22-15-12-19(13-16-22)8-4-2-3-5-9-20-18-21(29)14-17-25(20)28-26(30)23-10-6-7-11-24(23)27(28)31/h4,6-8,10-13,15-18H,2-3,5,9,14H2,1H3/b8-4+