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

Systemtic Name: 3-[(4-dimethylaminophenyl)-[1-oxidanyl-3,4-bis(oxidanylidene)naphthalen-2-yl]methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[(4-dimethylaminophenyl)-(1-hydroxy-3,4-dioxo-2-naphthyl)methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[(4-dimethylaminophenyl)-(1-hydroxy-3,4-dioxo-2-naphthalenyl)methyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[(4-dimethylaminophenyl)-(1-hydroxy-3,4-dioxonaphthalen-2-yl)methyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[(4-dimethylaminophenyl)-(1-hydroxy-3,4-diketo-2-naphthyl)methyl]-4-hydroxy-1,2-naphthoquinone Formula: C29H21NO6 MolecularWeight: 479.48014

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C(=O)C2=O)O)C4=C(C5=CC=CC=C5C(=O)C4=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C(=O)C2=O)O)C4=C(C5=CC=CC=C5C(=O)C4=O)O

InChI

InChI=1S/C29H21NO6/c1-30(2)16-13-11-15(12-14-16)21(22-24(31)17-7-3-5-9-19(17)26(33)28(22)35)23-25(32)18-8-4-6-10-20(18)27(34)29(23)36/h3-14,21,31-32H,1-2H3