2,6-bis(3-oxidanylidene-1,2-benzothiazol-2-yl)hexanoic acid

Systemtic Name: 2,6-bis(3-oxidanylidene-1,2-benzothiazol-2-yl)hexanoic acid Openeye Name: 2,6-bis(3-oxo-1,2-benzothiazol-2-yl)hexanoic acid CAS Name: 2,6-bis(3-oxo-1,2-benzothiazol-2-yl)hexanoic acid IUPAC Name: 2,6-bis(3-oxo-1,2-benzothiazol-2-yl)hexanoic acid Traditional Name: 2,6-bis(3-keto-1,2-benzothiazol-2-yl)hexanoic acid Formula: C20H18N2O4S2 MolecularWeight: 414.49792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2)CCCCC(C(=O)O)N3C(=O)C4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2)CCCCC(C(=O)O)N3C(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C20H18N2O4S2/c23-18-13-7-1-3-10-16(13)27-21(18)12-6-5-9-15(20(25)26)22-19(24)14-8-2-4-11-17(14)28-22/h1-4,7-8,10-11,15H,5-6,9,12H2,(H,25,26)