disodium 2-(4-azanyl-3-sulfonato-phenyl)-6-methyl-1,3-benzothiazole-7-sulfonate

Systemtic Name: disodium 2-(4-azanyl-3-sulfonato-phenyl)-6-methyl-1,3-benzothiazole-7-sulfonate Openeye Name: disodium 2-(4-amino-3-sulfonato-phenyl)-6-methyl-1,3-benzothiazole-7-sulfonate CAS Name: disodium 2-(4-amino-3-sulfonatophenyl)-6-methyl-1,3-benzothiazole-7-sulfonate IUPAC Name: disodium 2-(4-amino-3-sulfonatophenyl)-6-methyl-1,3-benzothiazole-7-sulfonate Traditional Name: disodium 2-(4-amino-3-sulfonato-phenyl)-6-methyl-1,3-benzothiazole-7-sulfonate Formula: C14H10N2Na2O6S3 MolecularWeight: 444.41354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H12N2O6S3.2Na/c1-7-2-5-10-12(13(7)25(20,21)22)23-14(16-10)8-3-4-9(15)11(6-8)24(17,18)19;;/h2-6H,15H2,1H3,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2