2-(1,3-benzothiazol-2-yl)-3-chloranyl-benzoic acid hydrate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-chloranyl-benzoic acid hydrate Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-chloro-benzoic acid hydrate CAS Name: 2-(1,3-benzothiazol-2-yl)-3-chlorobenzoic acid hydrate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-chlorobenzoic acid hydrate Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-chloro-benzoic acid hydrate Formula: C14H10ClNO3S MolecularWeight: 307.7521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC=C3Cl)C(=O)O.O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC=C3Cl)C(=O)O.O

InChI

InChI=1S/C14H8ClNO2S.H2O/c15-9-5-3-4-8(14(17)18)12(9)13-16-10-6-1-2-7-11(10)19-13;/h1-7H,(H,17,18);1H2