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

Systemtic Name: heptyl 5-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C31H29NO7S MolecularWeight: 559.62946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=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

CCCCCCCOC(=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/C31H29NO7S/c1-3-4-5-6-9-16-38-31(35)28-19(2)39-27-15-12-20(17-26(27)28)32-40(36,37)21-13-14-24-25(18-21)30(34)23-11-8-7-10-22(23)29(24)33/h7-8,10-15,17-18,32H,3-6,9,16H2,1-2H3