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

Systemtic Name: 4-oxidanyl-3-[[1-oxidanyl-3,4-bis(oxidanylidene)naphthalen-2-yl]-phenyl-methyl]naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-[(1-hydroxy-3,4-dioxo-2-naphthyl)-phenyl-methyl]naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[(1-hydroxy-3,4-dioxo-2-naphthalenyl)-phenylmethyl]naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-[(1-hydroxy-3,4-dioxonaphthalen-2-yl)-phenylmethyl]naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-[(1-hydroxy-3,4-diketo-2-naphthyl)-phenyl-methyl]-1,2-naphthoquinone Formula: C27H16O6 MolecularWeight: 436.41234

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Descriptors Computed from Structure

Canonical SMILES:

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

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/C27H16O6/c28-22-15-10-4-6-12-17(15)24(30)26(32)20(22)19(14-8-2-1-3-9-14)21-23(29)16-11-5-7-13-18(16)25(31)27(21)33/h1-13,19,28-29H