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2-[(2E)-2-(6-oxidanylidene-1,3-benzothiazol-2-ylidene)-3H-1,3-benzothiazol-6-yl]ethanesulfonic acid

2-[(2E)-2-(6-oxidanylidene-1,3-benzothiazol-2-ylidene)-3H-1,3-benzothiazol-6-yl]ethanesulfonic acid

Systemtic Name:2-[(2E)-2-(6-oxidanylidene-1,3-benzothiazol-2-ylidene)-3H-1,3-benzothiazol-6-yl]ethanesulfonic acid
Openeye Name:2-[(2E)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-3H-1,3-benzothiazol-6-yl]ethanesulfonic acid
CAS Name:2-[(2E)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-3H-1,3-benzothiazol-6-yl]ethanesulfonic acid
IUPAC Name:2-[(2E)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-3H-1,3-benzothiazol-6-yl]ethanesulfonic acid
Traditional Name:2-[(2E)-2-(6-keto-1,3-benzothiazol-2-ylidene)-3H-1,3-benzothiazol-6-yl]ethanesulfonic acid
Formula: C16H12N2O4S3
MolecularWeight: 392.47248
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CCS(=O)(=O)O)SC(=C3N=C4C=CC(=O)C=C4S3)N2


Isomeric SMILES

C1=CC2=C(C=C1CCS(=O)(=O)O)S/C(=C/3\N=C4C=CC(=O)C=C4S3)/N2


InChI

InChI=1S/C16H12N2O4S3/c19-10-2-4-12-14(8-10)24-16(18-12)15-17-11-3-1-9(7-13(11)23-15)5-6-25(20,21)22/h1-4,7-8,17H,5-6H2,(H,20,21,22)/b16-15+


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