1-nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol

Systemtic Name: 1-nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol Openeye Name: 1-nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol CAS Name: 1-nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol IUPAC Name: 1-nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol Traditional Name: 1-nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(C(C4=C(C=CC(=C43)C(C2O)O)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC2=C3C(=C1)C(C(C4=C(C=CC(=C43)C(C2O)O)[N+](=O)[O-])O)O

InChI

InChI=1S/C16H13NO6/c18-13-6-2-1-3-7-10(6)11-8(14(13)19)4-5-9(17(22)23)12(11)16(21)15(7)20/h1-5,13-16,18-21H