3-[[4-[bis(2-chloroethyl)amino]phenyl]-[1-oxidanyl-3,4-bis(oxidanylidene)naphthalen-2-yl]methyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[[4-[bis(2-chloroethyl)amino]phenyl]-[1-oxidanyl-3,4-bis(oxidanylidene)naphthalen-2-yl]methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[[4-[bis(2-chloroethyl)amino]phenyl]-(1-hydroxy-3,4-dioxo-2-naphthyl)methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[[4-[bis(2-chloroethyl)amino]phenyl]-(1-hydroxy-3,4-dioxo-2-naphthalenyl)methyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[[4-[bis(2-chloroethyl)amino]phenyl]-(1-hydroxy-3,4-dioxonaphthalen-2-yl)methyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[[4-[bis(2-chloroethyl)amino]phenyl]-(1-hydroxy-3,4-diketo-2-naphthyl)methyl]-4-hydroxy-1,2-naphthoquinone Formula: C31H23Cl2NO6 MolecularWeight: 576.42342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)C2=O)C(C3=CC=C(C=C3)N(CCCl)CCCl)C4=C(C5=CC=CC=C5C(=O)C4=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)C2=O)C(C3=CC=C(C=C3)N(CCCl)CCCl)C4=C(C5=CC=CC=C5C(=O)C4=O)O)O

InChI

InChI=1S/C31H23Cl2NO6/c32-13-15-34(16-14-33)18-11-9-17(10-12-18)23(24-26(35)19-5-1-3-7-21(19)28(37)30(24)39)25-27(36)20-6-2-4-8-22(20)29(38)31(25)40/h1-12,23,35-36H,13-16H2