(4-butylcyclohexyl) 1-azanyl-4-[(4-butylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (4-butylcyclohexyl) 1-azanyl-4-[(4-butylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (4-butylcyclohexyl) 1-amino-4-(4-butylanilino)-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-4-(4-butylanilino)-9,10-dioxo-2-anthracenecarboxylic acid (4-butylcyclohexyl) ester IUPAC Name: (4-butylcyclohexyl) 1-amino-4-(4-butylanilino)-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-4-(4-butylanilino)-9,10-diketo-anthracene-2-carboxylic acid (4-butylcyclohexyl) ester Formula: C35H40N2O4 MolecularWeight: 552.7031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)OC(=O)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NC5=CC=C(C=C5)CCCC

Isomeric SMILES

CCCCC1CCC(CC1)OC(=O)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NC5=CC=C(C=C5)CCCC

InChI

InChI=1S/C35H40N2O4/c1-3-5-9-22-13-17-24(18-14-22)37-29-21-28(35(40)41-25-19-15-23(16-20-25)10-6-4-2)32(36)31-30(29)33(38)26-11-7-8-12-27(26)34(31)39/h7-8,11-14,17-18,21,23,25,37H,3-6,9-10,15-16,19-20,36H2,1-2H3