3-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-[1-oxidanyl-3,4-bis(oxidanylidene)naphthalen-2-yl]methyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-[1-oxidanyl-3,4-bis(oxidanylidene)naphthalen-2-yl]methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[(3-bromo-4-hydroxy-5-methoxy-phenyl)-(1-hydroxy-3,4-dioxo-2-naphthyl)methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)-(1-hydroxy-3,4-dioxo-2-naphthalenyl)methyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)-(1-hydroxy-3,4-dioxonaphthalen-2-yl)methyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[(3-bromo-4-hydroxy-5-methoxy-phenyl)-(1-hydroxy-3,4-diketo-2-naphthyl)methyl]-4-hydroxy-1,2-naphthoquinone Formula: C28H17BrO8 MolecularWeight: 561.33378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(C2=C(C3=CC=CC=C3C(=O)C2=O)O)C4=C(C5=CC=CC=C5C(=O)C4=O)O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C(C2=C(C3=CC=CC=C3C(=O)C2=O)O)C4=C(C5=CC=CC=C5C(=O)C4=O)O)Br)O

InChI

InChI=1S/C28H17BrO8/c1-37-18-11-12(10-17(29)26(18)34)19(20-22(30)13-6-2-4-8-15(13)24(32)27(20)35)21-23(31)14-7-3-5-9-16(14)25(33)28(21)36/h2-11,19,30-31,34H,1H3