1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol

Systemtic Name: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol Openeye Name: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol CAS Name: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol IUPAC Name: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol Traditional Name: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol Formula: C20H15NO6 MolecularWeight: 365.3362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3=C(C(C(C(C3O)O)O)O)C4=C2C5=C1C=CC(=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=CC3=C(C(C(C(C3O)O)O)O)C4=C2C5=C1C=CC(=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15NO6/c22-17-12-7-9-2-1-8-3-6-13(21(26)27)10-4-5-11(15(9)14(8)10)16(12)18(23)20(25)19(17)24/h1-7,17-20,22-25H