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

Systemtic Name: 2-[4-[9-hexoxy-1,3-bis(oxidanylidene)-4-propan-2-yloxy-benzo[f]isoindol-2-yl]phenyl]ethanoate Openeye Name: 2-[4-(9-hexoxy-4-isopropoxy-1,3-dioxo-benzo[f]isoindol-2-yl)phenyl]acetate CAS Name: 2-[4-(9-hexoxy-1,3-dioxo-4-propan-2-yloxy-2-benzo[f]isoindolyl)phenyl]acetate IUPAC Name: 2-[4-(9-hexoxy-1,3-dioxo-4-propan-2-yloxybenzo[f]isoindol-2-yl)phenyl]acetate Traditional Name: 2-[4-(9-hexoxy-4-isopropoxy-1,3-diketo-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)OC(C)C)C(=O)N(C2=O)C4=CC=C(C=C4)CC(=O)[O-]

Isomeric SMILES

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

InChI

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