8-[(3-azanyl-2,5-dimethyl-phenyl)diazenyl]-5-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid

Systemtic Name: 8-[(3-azanyl-2,5-dimethyl-phenyl)diazenyl]-5-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid Openeye Name: 8-(3-amino-2,5-dimethyl-phenyl)azo-5-[(6-sulfo-2-naphthyl)azo]naphthalene-2-sulfonic acid CAS Name: 8-(3-amino-2,5-dimethylphenyl)azo-5-[(6-sulfo-2-naphthalenyl)azo]-2-naphthalenesulfonic acid IUPAC Name: 8-[(3-amino-2,5-dimethylphenyl)diazenyl]-5-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid Traditional Name: 8-(3-amino-2,5-dimethyl-phenyl)azo-5-[(6-sulfo-2-naphthyl)azo]naphthalene-2-sulfonic acid Formula: C28H23N5O6S2 MolecularWeight: 589.64212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N)C)N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=CC5=C(C=C4)C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)N)C)N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=CC5=C(C=C4)C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O

InChI

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