(3S,4S)-12-nitro-3,4-dihydrochrysene-3,4-diol

Systemtic Name: (3S,4S)-12-nitro-3,4-dihydrochrysene-3,4-diol Openeye Name: (3S,4S)-12-nitro-3,4-dihydrochrysene-3,4-diol CAS Name: (3S,4S)-12-nitro-3,4-dihydrochrysene-3,4-diol IUPAC Name: (3S,4S)-12-nitro-3,4-dihydrochrysene-3,4-diol Traditional Name: (3S,4S)-12-nitro-3,4-dihydrochrysene-3,4-diol Formula: C18H13NO4 MolecularWeight: 307.30012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C4C(C(C=CC4=C(C=C32)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C4[C@@H]([C@H](C=CC4=C(C=C32)[N+](=O)[O-])O)O

InChI

InChI=1S/C18H13NO4/c20-16-8-7-13-15(19(22)23)9-14-11-4-2-1-3-10(11)5-6-12(14)17(13)18(16)21/h1-9,16,18,20-21H/t16-,18+/m0/s1