2-[(8-azanyl-3,6-disulfo-naphthalen-1-yl)diazenyl]-3-phenyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 2-[(8-azanyl-3,6-disulfo-naphthalen-1-yl)diazenyl]-3-phenyl-naphthalene-1,7-disulfonic acid Openeye Name: 2-[(8-amino-3,6-disulfo-1-naphthyl)azo]-3-phenyl-naphthalene-1,7-disulfonic acid CAS Name: 2-[(8-amino-3,6-disulfo-1-naphthalenyl)azo]-3-phenylnaphthalene-1,7-disulfonic acid IUPAC Name: 2-[(8-amino-3,6-disulfonaphthalen-1-yl)diazenyl]-3-phenylnaphthalene-1,7-disulfonic acid Traditional Name: 2-[(8-amino-3,6-disulfo-1-naphthyl)azo]-3-phenyl-naphthalene-1,7-disulfonic acid Formula: C26H19N3O12S4 MolecularWeight: 693.70196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=C2)S(=O)(=O)O)S(=O)(=O)O)N=NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=C2)S(=O)(=O)O)S(=O)(=O)O)N=NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5N)S(=O)(=O)O

InChI

InChI=1S/C26H19N3O12S4/c27-22-12-18(43(33,34)35)8-16-9-19(44(36,37)38)13-23(24(16)22)28-29-25-20(14-4-2-1-3-5-14)10-15-6-7-17(42(30,31)32)11-21(15)26(25)45(39,40)41/h1-13H,27H2,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)