[5-chloranyl-2-[(E)-[5-chloranyl-3-(ethylaminooxysulfonylmethyl)-1,3-benzothiazol-2-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]methanesulfonic acid

Systemtic Name: [5-chloranyl-2-[(E)-[5-chloranyl-3-(ethylaminooxysulfonylmethyl)-1,3-benzothiazol-2-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]methanesulfonic acid Openeye Name: [5-chloro-2-[(E)-[5-chloro-3-(ethylaminooxysulfonylmethyl)-1,3-benzothiazol-2-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]methanesulfonic acid CAS Name: [5-chloro-2-[(E)-[5-chloro-3-(ethylaminooxysulfonylmethyl)-1,3-benzothiazol-2-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]methanesulfonic acid IUPAC Name: [5-chloro-2-[(E)-[5-chloro-3-(ethylaminooxysulfonylmethyl)-1,3-benzothiazol-2-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]methanesulfonic acid Traditional Name: [5-chloro-2-[(E)-[5-chloro-3-(ethylaminooxysulfonylmethyl)-1,3-benzothiazol-2-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]methanesulfonic acid Formula: C19H18Cl2N3O6S4+ MolecularWeight: 583.52872

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Descriptors Computed from Structure

Canonical SMILES:

CCNOS(=O)(=O)CN1C2=C(C=CC(=C2)Cl)SC1=CC3=[N+](C4=C(S3)C=CC(=C4)Cl)CS(=O)(=O)O

Isomeric SMILES

CCNOS(=O)(=O)CN\1C2=C(C=CC(=C2)Cl)S/C1=C/C3=[N+](C4=C(S3)C=CC(=C4)Cl)CS(=O)(=O)O

InChI

InChI=1S/C19H17Cl2N3O6S4/c1-2-22-30-34(28,29)11-24-15-8-13(21)4-6-17(15)32-19(24)9-18-23(10-33(25,26)27)14-7-12(20)3-5-16(14)31-18/h3-9,22H,2,10-11H2,1H3/p+1