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

Systemtic Name: 2,6-bis[(4-heptylphenyl)amino]-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 2,6-bis(4-heptylanilino)-5,8-dihydroxy-naphthalene-1,4-dione CAS Name: 2,6-bis(4-heptylanilino)-5,8-dihydroxynaphthalene-1,4-dione IUPAC Name: 2,6-bis(4-heptylanilino)-5,8-dihydroxynaphthalene-1,4-dione Traditional Name: 2,6-bis(4-heptylanilino)-5,8-dihydroxy-1,4-naphthoquinone Formula: C36H44N2O4 MolecularWeight: 568.74556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)NC2=CC(=C3C(=C2O)C(=O)C=C(C3=O)NC4=CC=C(C=C4)CCCCCCC)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)NC2=CC(=C3C(=C2O)C(=O)C=C(C3=O)NC4=CC=C(C=C4)CCCCCCC)O

InChI

InChI=1S/C36H44N2O4/c1-3-5-7-9-11-13-25-15-19-27(20-16-25)37-29-23-31(39)34-33(35(29)41)32(40)24-30(36(34)42)38-28-21-17-26(18-22-28)14-12-10-8-6-4-2/h15-24,37-39,41H,3-14H2,1-2H3