octyl 5-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: octyl 5-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: octyl 5-[(9,10-dioxo-2-anthryl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(9,10-dioxo-2-anthracenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid octyl ester IUPAC Name: octyl 5-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(9,10-diketo-2-anthryl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid octyl ester Formula: C32H31NO7S MolecularWeight: 573.65604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C32H31NO7S/c1-3-4-5-6-7-10-17-39-32(36)29-20(2)40-28-16-13-21(18-27(28)29)33-41(37,38)22-14-15-25-26(19-22)31(35)24-12-9-8-11-23(24)30(25)34/h8-9,11-16,18-19,33H,3-7,10,17H2,1-2H3