3-sulfanylidenepropyl 4-methylbenzenesulfonate

Systemtic Name: 3-sulfanylidenepropyl 4-methylbenzenesulfonate Openeye Name: 3-thioxopropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-sulfanylidenepropyl ester IUPAC Name: 3-sulfanylidenepropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-thioxopropyl ester Formula: C10H12O3S2 MolecularWeight: 244.33048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC=S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC=S

InChI

InChI=1S/C10H12O3S2/c1-9-3-5-10(6-4-9)15(11,12)13-7-2-8-14/h3-6,8H,2,7H2,1H3