4-azanyl-3-[[3-[2-(1H-benzimidazol-2-yl)ethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 4-azanyl-3-[[3-[2-(1H-benzimidazol-2-yl)ethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 4-amino-3-[3-[2-(1H-benzimidazol-2-yl)vinyl]phenyl]azo-naphthalene-1-sulfonic acid CAS Name: 4-amino-3-[3-[2-(1H-benzimidazol-2-yl)ethenyl]phenyl]azo-1-naphthalenesulfonic acid IUPAC Name: 4-amino-3-[[3-[2-(1H-benzimidazol-2-yl)ethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 4-amino-3-[3-[2-(1H-benzimidazol-2-yl)vinyl]phenyl]azo-naphthalene-1-sulfonic acid Formula: C25H19N5O3S MolecularWeight: 469.51506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=CC(=C3)C=CC4=NC5=CC=CC=C5N4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=CC(=C3)C=CC4=NC5=CC=CC=C5N4)S(=O)(=O)O

InChI

InChI=1S/C25H19N5O3S/c26-25-19-9-2-1-8-18(19)23(34(31,32)33)15-22(25)30-29-17-7-5-6-16(14-17)12-13-24-27-20-10-3-4-11-21(20)28-24/h1-15H,26H2,(H,27,28)(H,31,32,33)