2-[4-[4-hexoxy-1,3-bis(oxidanylidene)-9-propoxy-benzo[f]isoindol-2-yl]phenyl]ethanoate

Systemtic Name: 2-[4-[4-hexoxy-1,3-bis(oxidanylidene)-9-propoxy-benzo[f]isoindol-2-yl]phenyl]ethanoate Openeye Name: 2-[4-(4-hexoxy-1,3-dioxo-9-propoxy-benzo[f]isoindol-2-yl)phenyl]acetate CAS Name: 2-[4-(4-hexoxy-1,3-dioxo-9-propoxy-2-benzo[f]isoindolyl)phenyl]acetate IUPAC Name: 2-[4-(4-hexoxy-1,3-dioxo-9-propoxybenzo[f]isoindol-2-yl)phenyl]acetate Traditional Name: 2-[4-(4-hexoxy-1,3-diketo-9-propoxy-benz[f]isoindol-2-yl)phenyl]acetate Formula: C29H30NO6- MolecularWeight: 488.5516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C2C(=C(C3=CC=CC=C31)OCCC)C(=O)N(C2=O)C4=CC=C(C=C4)CC(=O)[O-]

Isomeric SMILES

CCCCCCOC1=C2C(=C(C3=CC=CC=C31)OCCC)C(=O)N(C2=O)C4=CC=C(C=C4)CC(=O)[O-]

InChI

InChI=1S/C29H31NO6/c1-3-5-6-9-17-36-27-22-11-8-7-10-21(22)26(35-16-4-2)24-25(27)29(34)30(28(24)33)20-14-12-19(13-15-20)18-23(31)32/h7-8,10-15H,3-6,9,16-18H2,1-2H3,(H,31,32)/p-1