13-(1,3-benzothiazol-2-yl)-13-sulfanylidene-tridecane-1-sulfonic acid

Systemtic Name: 13-(1,3-benzothiazol-2-yl)-13-sulfanylidene-tridecane-1-sulfonic acid Openeye Name: 13-(1,3-benzothiazol-2-yl)-13-thioxo-tridecane-1-sulfonic acid CAS Name: 13-(1,3-benzothiazol-2-yl)-13-sulfanylidene-1-tridecanesulfonic acid IUPAC Name: 13-(1,3-benzothiazol-2-yl)-13-sulfanylidenetridecane-1-sulfonic acid Traditional Name: 13-(1,3-benzothiazol-2-yl)-13-thioxo-tridecane-1-sulfonic acid Formula: C20H29NO3S3 MolecularWeight: 427.64416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=S)CCCCCCCCCCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=S)CCCCCCCCCCCCS(=O)(=O)O

InChI

InChI=1S/C20H29NO3S3/c22-27(23,24)16-12-8-6-4-2-1-3-5-7-9-14-18(25)20-21-17-13-10-11-15-19(17)26-20/h10-11,13,15H,1-9,12,14,16H2,(H,22,23,24)