2-[[4-(6-methyl-1,3-benzothiazol-1-yl)phenyl]diazenyl]-1-oxidanyl-naphthalene-1,2-disulfonic acid

Systemtic Name: 2-[[4-(6-methyl-1,3-benzothiazol-1-yl)phenyl]diazenyl]-1-oxidanyl-naphthalene-1,2-disulfonic acid Openeye Name: 1-hydroxy-2-[4-(6-methyl-1,3-benzothiazol-1-yl)phenyl]azo-naphthalene-1,2-disulfonic acid CAS Name: 1-hydroxy-2-[4-(6-methyl-1,3-benzothiazol-1-yl)phenyl]azonaphthalene-1,2-disulfonic acid IUPAC Name: 1-hydroxy-2-[[4-(6-methyl-1,3-benzothiazol-1-yl)phenyl]diazenyl]naphthalene-1,2-disulfonic acid Traditional Name: 1-hydroxy-2-[4-(6-methyl-1,3-benzothiazol-1-yl)phenyl]azo-naphthalene-1,2-disulfonic acid Formula: C24H20N3O7S3 MolecularWeight: 558.6265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C[S]2C3=CC=C(C=C3)N=NC4(C=CC5=CC=CC=C5C4(O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C[S]2C3=CC=C(C=C3)N=NC4(C=CC5=CC=CC=C5C4(O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H20N3O7S3/c1-16-6-11-21-22(14-16)35(15-25-21)19-9-7-18(8-10-19)26-27-23(36(29,30)31)13-12-17-4-2-3-5-20(17)24(23,28)37(32,33)34/h2-15,28H,1H3,(H,29,30,31)(H,32,33,34)