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

Systemtic Name: 3-[(2-bromophenyl)-[1-oxidanyl-3,4-bis(oxidanylidene)naphthalen-2-yl]methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[(2-bromophenyl)-(1-hydroxy-3,4-dioxo-2-naphthyl)methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[(2-bromophenyl)-(1-hydroxy-3,4-dioxo-2-naphthalenyl)methyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[(2-bromophenyl)-(1-hydroxy-3,4-dioxonaphthalen-2-yl)methyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[(2-bromophenyl)-(1-hydroxy-3,4-diketo-2-naphthyl)methyl]-4-hydroxy-1,2-naphthoquinone Formula: C27H15BrO6 MolecularWeight: 515.3084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)C2=O)C(C3=CC=CC=C3Br)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=CC=C3Br)C4=C(C5=CC=CC=C5C(=O)C4=O)O)O

InChI

InChI=1S/C27H15BrO6/c28-18-12-6-5-11-17(18)19(20-22(29)13-7-1-3-9-15(13)24(31)26(20)33)21-23(30)14-8-2-4-10-16(14)25(32)27(21)34/h1-12,19,29-30H