5-oxidanyl-1,4-bis[[2-(phenylmethyl)cyclohexyl]amino]anthracene-9,10-dione

Systemtic Name: 5-oxidanyl-1,4-bis[[2-(phenylmethyl)cyclohexyl]amino]anthracene-9,10-dione Openeye Name: 1,4-bis[(2-benzylcyclohexyl)amino]-5-hydroxy-anthracene-9,10-dione CAS Name: 5-hydroxy-1,4-bis[[2-(phenylmethyl)cyclohexyl]amino]anthracene-9,10-dione IUPAC Name: 1,4-bis[(2-benzylcyclohexyl)amino]-5-hydroxyanthracene-9,10-dione Traditional Name: 1,4-bis[(2-benzylcyclohexyl)amino]-5-hydroxy-9,10-anthraquinone Formula: C40H42N2O3 MolecularWeight: 598.77308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CC2=CC=CC=C2)NC3=C4C(=C(C=C3)NC5CCCCC5CC6=CC=CC=C6)C(=O)C7=C(C4=O)C=CC=C7O

Isomeric SMILES

C1CCC(C(C1)CC2=CC=CC=C2)NC3=C4C(=C(C=C3)NC5CCCCC5CC6=CC=CC=C6)C(=O)C7=C(C4=O)C=CC=C7O

InChI

InChI=1S/C40H42N2O3/c43-35-21-11-18-30-36(35)40(45)38-34(42-32-20-10-8-17-29(32)25-27-14-5-2-6-15-27)23-22-33(37(38)39(30)44)41-31-19-9-7-16-28(31)24-26-12-3-1-4-13-26/h1-6,11-15,18,21-23,28-29,31-32,41-43H,7-10,16-17,19-20,24-25H2