6-azanyl-5-[(2-methoxy-5-methyl-4-sulfo-phenyl)diazenyl]naphthalene-2-sulfonic acid

Systemtic Name: 6-azanyl-5-[(2-methoxy-5-methyl-4-sulfo-phenyl)diazenyl]naphthalene-2-sulfonic acid Openeye Name: 6-amino-5-(2-methoxy-5-methyl-4-sulfo-phenyl)azo-naphthalene-2-sulfonic acid CAS Name: 6-amino-5-(2-methoxy-5-methyl-4-sulfophenyl)azo-2-naphthalenesulfonic acid IUPAC Name: 6-amino-5-[(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid Traditional Name: 6-amino-5-(2-methoxy-5-methyl-4-sulfo-phenyl)azo-naphthalene-2-sulfonic acid Formula: C18H17N3O7S2 MolecularWeight: 451.47348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)OC)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)OC)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)N

InChI

InChI=1S/C18H17N3O7S2/c1-10-7-15(16(28-2)9-17(10)30(25,26)27)20-21-18-13-5-4-12(29(22,23)24)8-11(13)3-6-14(18)19/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27)