6-methyl-2-[4-[(2E)-2-(1-oxidanylidene-4-sulfo-naphthalen-2-ylidene)hydrazinyl]phenyl]-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 6-methyl-2-[4-[(2E)-2-(1-oxidanylidene-4-sulfo-naphthalen-2-ylidene)hydrazinyl]phenyl]-1,3-benzothiazole-7-sulfonic acid Openeye Name: 6-methyl-2-[4-[(2E)-2-(1-oxo-4-sulfo-2-naphthylidene)hydrazino]phenyl]-1,3-benzothiazole-7-sulfonic acid CAS Name: 6-methyl-2-[4-[(2E)-2-(1-oxo-4-sulfo-2-naphthalenylidene)hydrazinyl]phenyl]-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 6-methyl-2-[4-[(2E)-2-(1-oxo-4-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-[4-[(N'E)-N'-(1-keto-4-sulfo-2-naphthylidene)hydrazino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Formula: C24H17N3O7S3 MolecularWeight: 555.60268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NN=C4C=C(C5=CC=CC=C5C4=O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N/N=C/4\C=C(C5=CC=CC=C5C4=O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H17N3O7S3/c1-13-6-11-18-22(23(13)37(32,33)34)35-24(25-18)14-7-9-15(10-8-14)26-27-19-12-20(36(29,30)31)16-4-2-3-5-17(16)21(19)28/h2-12,26H,1H3,(H,29,30,31)(H,32,33,34)/b27-19+