(4S)-4-methyl-2-[(S)-(4-nitrophenyl)-oxidanyl-methyl]-4-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4S)-4-methyl-2-[(S)-(4-nitrophenyl)-oxidanyl-methyl]-4-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4S)-4-hydroxy-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-4-methyl-cyclohexa-2,5-dien-1-one CAS Name: (4S)-4-hydroxy-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-4-methyl-1-cyclohexa-2,5-dienone IUPAC Name: (4S)-4-hydroxy-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-4-methylcyclohexa-2,5-dien-1-one Traditional Name: (4S)-4-hydroxy-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-4-methyl-cyclohexa-2,5-dien-1-one Formula: C14H13NO5 MolecularWeight: 275.25672

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=O)C(=C1)C(C2=CC=C(C=C2)[N+](=O)[O-])O)O

Isomeric SMILES

C[C@@]1(C=CC(=O)C(=C1)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O)O

InChI

InChI=1S/C14H13NO5/c1-14(18)7-6-12(16)11(8-14)13(17)9-2-4-10(5-3-9)15(19)20/h2-8,13,17-18H,1H3/t13-,14-/m0/s1