(4-octylcyclohexyl) 1,4-bis(azanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (4-octylcyclohexyl) 1,4-bis(azanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (4-octylcyclohexyl) 1,4-diamino-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1,4-diamino-9,10-dioxo-2-anthracenecarboxylic acid (4-octylcyclohexyl) ester IUPAC Name: (4-octylcyclohexyl) 1,4-diamino-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1,4-diamino-9,10-diketo-anthracene-2-carboxylic acid (4-octylcyclohexyl) ester Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)OC(=O)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

CCCCCCCCC1CCC(CC1)OC(=O)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C29H36N2O4/c1-2-3-4-5-6-7-10-18-13-15-19(16-14-18)35-29(34)22-17-23(30)24-25(26(22)31)28(33)21-12-9-8-11-20(21)27(24)32/h8-9,11-12,17-19H,2-7,10,13-16,30-31H2,1H3