[5,6-bis(chloranyl)-1-(2-methyl-1-octyl-indol-3-yl)-3-oxidanylidene-2-benzofuran-1-yl] ethanoate

Systemtic Name: [5,6-bis(chloranyl)-1-(2-methyl-1-octyl-indol-3-yl)-3-oxidanylidene-2-benzofuran-1-yl] ethanoate Openeye Name: [5,6-dichloro-1-(2-methyl-1-octyl-indol-3-yl)-3-oxo-isobenzofuran-1-yl] acetate CAS Name: acetic acid [5,6-dichloro-1-(2-methyl-1-octyl-3-indolyl)-3-oxo-1-isobenzofuranyl] ester IUPAC Name: [5,6-dichloro-1-(2-methyl-1-octylindol-3-yl)-3-oxo-2-benzofuran-1-yl] acetate Traditional Name: acetic acid [5,6-dichloro-3-keto-1-(2-methyl-1-octyl-indol-3-yl)phthalan-1-yl] ester Formula: C27H29Cl2NO4 MolecularWeight: 502.42946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC(=C(C=C4C(=O)O3)Cl)Cl)OC(=O)C)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC(=C(C=C4C(=O)O3)Cl)Cl)OC(=O)C)C

InChI

InChI=1S/C27H29Cl2NO4/c1-4-5-6-7-8-11-14-30-17(2)25(19-12-9-10-13-24(19)30)27(33-18(3)31)21-16-23(29)22(28)15-20(21)26(32)34-27/h9-10,12-13,15-16H,4-8,11,14H2,1-3H3