8-azanyl-5-[[4-[(2,5-dimethylphenyl)diazenyl]-6-sulfo-naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 8-azanyl-5-[[4-[(2,5-dimethylphenyl)diazenyl]-6-sulfo-naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 8-amino-5-[[4-(2,5-dimethylphenyl)azo-6-sulfo-1-naphthyl]azo]naphthalene-1-sulfonic acid CAS Name: 8-amino-5-[[4-(2,5-dimethylphenyl)azo-6-sulfo-1-naphthalenyl]azo]-1-naphthalenesulfonic acid IUPAC Name: 8-amino-5-[[4-[(2,5-dimethylphenyl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 8-amino-5-[[4-(2,5-dimethylphenyl)azo-6-sulfo-1-naphthyl]azo]naphthalene-1-sulfonic acid Formula: C28H23N5O6S2 MolecularWeight: 589.64212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=C5C=CC=C(C5=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=C5C=CC=C(C5=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H23N5O6S2/c1-16-6-7-17(2)26(14-16)33-32-25-13-12-23(19-9-8-18(15-21(19)25)40(34,35)36)30-31-24-11-10-22(29)28-20(24)4-3-5-27(28)41(37,38)39/h3-15H,29H2,1-2H3,(H,34,35,36)(H,37,38,39)