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

Systemtic Name: disodium 2-[[4-(6-methyl-1,3-benzothiazol-1-yl)phenyl]diazenyl]-1-oxidanyl-naphthalene-1,2-disulfonate Openeye Name: disodium 1-hydroxy-2-[4-(6-methyl-1,3-benzothiazol-1-yl)phenyl]azo-naphthalene-1,2-disulfonate CAS Name: disodium 1-hydroxy-2-[4-(6-methyl-1,3-benzothiazol-1-yl)phenyl]azonaphthalene-1,2-disulfonate IUPAC Name: disodium 1-hydroxy-2-[[4-(6-methyl-1,3-benzothiazol-1-yl)phenyl]diazenyl]naphthalene-1,2-disulfonate Traditional Name: disodium 1-hydroxy-2-[4-(6-methyl-1,3-benzothiazol-1-yl)phenyl]azo-naphthalene-1,2-disulfonate Formula: C24H18N3Na2O7S3 MolecularWeight: 602.59016

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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-].[Na+].[Na+]

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-].[Na+].[Na+]

InChI

InChI=1S/C24H20N3O7S3.2Na/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);;/q;2*+1/p-2