2-[bis[4-(4-oxidanylbutyl)phenyl]amino]phenanthrene-9,10-dione

Systemtic Name: 2-[bis[4-(4-oxidanylbutyl)phenyl]amino]phenanthrene-9,10-dione Openeye Name: 2-[4-(4-hydroxybutyl)-N-[4-(4-hydroxybutyl)phenyl]anilino]phenanthrene-9,10-dione CAS Name: 2-[4-(4-hydroxybutyl)-N-[4-(4-hydroxybutyl)phenyl]anilino]phenanthrene-9,10-dione IUPAC Name: 2-[4-(4-hydroxybutyl)-N-[4-(4-hydroxybutyl)phenyl]anilino]phenanthrene-9,10-dione Traditional Name: 2-[4-(4-hydroxybutyl)-N-[4-(4-hydroxybutyl)phenyl]anilino]phenanthrene-9,10-quinone Formula: C34H33NO4 MolecularWeight: 519.63012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C=C(C=C3)N(C4=CC=C(C=C4)CCCCO)C5=CC=C(C=C5)CCCCO)C(=O)C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C=C(C=C3)N(C4=CC=C(C=C4)CCCCO)C5=CC=C(C=C5)CCCCO)C(=O)C2=O

InChI

InChI=1S/C34H33NO4/c36-21-5-3-7-24-11-15-26(16-12-24)35(27-17-13-25(14-18-27)8-4-6-22-37)28-19-20-30-29-9-1-2-10-31(29)33(38)34(39)32(30)23-28/h1-2,9-20,23,36-37H,3-8,21-22H2