7-(1,3-benzothiazol-2-yl)-7-sulfanylidene-heptane-1-sulfonic acid

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-7-sulfanylidene-heptane-1-sulfonic acid Openeye Name: 7-(1,3-benzothiazol-2-yl)-7-thioxo-heptane-1-sulfonic acid CAS Name: 7-(1,3-benzothiazol-2-yl)-7-sulfanylidene-1-heptanesulfonic acid IUPAC Name: 7-(1,3-benzothiazol-2-yl)-7-sulfanylideneheptane-1-sulfonic acid Traditional Name: 7-(1,3-benzothiazol-2-yl)-7-thioxo-heptane-1-sulfonic acid Formula: C14H17NO3S3 MolecularWeight: 343.48468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3S3/c16-21(17,18)10-6-2-1-3-8-12(19)14-15-11-7-4-5-9-13(11)20-14/h4-5,7,9H,1-3,6,8,10H2,(H,16,17,18)