5-azanyl-6-ethoxy-8-[2-[(3-sulfophenyl)diazenyl]phenyl]naphthalene-2-sulfonic acid

Systemtic Name: 5-azanyl-6-ethoxy-8-[2-[(3-sulfophenyl)diazenyl]phenyl]naphthalene-2-sulfonic acid Openeye Name: 5-amino-6-ethoxy-8-[2-(3-sulfophenyl)azophenyl]naphthalene-2-sulfonic acid CAS Name: 5-amino-6-ethoxy-8-[2-(3-sulfophenyl)azophenyl]-2-naphthalenesulfonic acid IUPAC Name: 5-amino-6-ethoxy-8-[2-[(3-sulfophenyl)diazenyl]phenyl]naphthalene-2-sulfonic acid Traditional Name: 5-amino-6-ethoxy-8-[2-(3-sulfophenyl)azophenyl]naphthalene-2-sulfonic acid Formula: C24H21N3O7S2 MolecularWeight: 527.56944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)C3=CC=CC=C3N=NC4=CC(=CC=C4)S(=O)(=O)O)N

Isomeric SMILES

CCOC1=C(C2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)C3=CC=CC=C3N=NC4=CC(=CC=C4)S(=O)(=O)O)N

InChI

InChI=1S/C24H21N3O7S2/c1-2-34-23-14-21(20-13-17(36(31,32)33)10-11-19(20)24(23)25)18-8-3-4-9-22(18)27-26-15-6-5-7-16(12-15)35(28,29)30/h3-14H,2,25H2,1H3,(H,28,29,30)(H,31,32,33)