3-[(4-azanyl-3-methoxy-phenyl)diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[(4-azanyl-3-methoxy-phenyl)diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-(4-amino-3-methoxy-phenyl)azonaphthalene-1,5-disulfonic acid CAS Name: 3-(4-amino-3-methoxyphenyl)azonaphthalene-1,5-disulfonic acid IUPAC Name: 3-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-(4-amino-3-methoxy-phenyl)azonaphthalene-1,5-disulfonic acid Formula: C17H15N3O7S2 MolecularWeight: 437.4469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C17H15N3O7S2/c1-27-15-8-10(5-6-14(15)18)19-20-11-7-13-12(17(9-11)29(24,25)26)3-2-4-16(13)28(21,22)23/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26)