8-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]pyrene-1,3,6-trisulfonic acid

Systemtic Name: 8-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]pyrene-1,3,6-trisulfonic acid Openeye Name: 8-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]pyrene-1,3,6-trisulfonic acid CAS Name: 8-[(4,5-dimethoxy-2-nitrophenyl)methoxy]pyrene-1,3,6-trisulfonic acid IUPAC Name: 8-[(4,5-dimethoxy-2-nitrophenyl)methoxy]pyrene-1,3,6-trisulfonic acid Traditional Name: 8-(4,5-dimethoxy-2-nitro-benzyl)oxypyrene-1,3,6-trisulfonic acid Formula: C25H19NO14S3 MolecularWeight: 653.61166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C25H19NO14S3/c1-38-19-7-12(17(26(27)28)8-20(19)39-2)11-40-18-9-21(41(29,30)31)14-5-6-16-23(43(35,36)37)10-22(42(32,33)34)15-4-3-13(18)24(14)25(15)16/h3-10H,11H2,1-2H3,(H,29,30,31)(H,32,33,34)(H,35,36,37)