2,6-bis[(4-hexylphenyl)amino]-5,8-bis(oxidanyl)naphthalene-1,4-dione

Systemtic Name: 2,6-bis[(4-hexylphenyl)amino]-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 2,6-bis(4-hexylanilino)-5,8-dihydroxy-naphthalene-1,4-dione CAS Name: 2,6-bis(4-hexylanilino)-5,8-dihydroxynaphthalene-1,4-dione IUPAC Name: 2,6-bis(4-hexylanilino)-5,8-dihydroxynaphthalene-1,4-dione Traditional Name: 2,6-bis(4-hexylanilino)-5,8-dihydroxy-1,4-naphthoquinone Formula: C34H40N2O4 MolecularWeight: 540.6924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC2=CC(=C3C(=C2O)C(=O)C=C(C3=O)NC4=CC=C(C=C4)CCCCCC)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC2=CC(=C3C(=C2O)C(=O)C=C(C3=O)NC4=CC=C(C=C4)CCCCCC)O

InChI

InChI=1S/C34H40N2O4/c1-3-5-7-9-11-23-13-17-25(18-14-23)35-27-21-29(37)32-31(33(27)39)30(38)22-28(34(32)40)36-26-19-15-24(16-20-26)12-10-8-6-4-2/h13-22,35-37,39H,3-12H2,1-2H3