3-chloranylpropyl 4-methylbenzenesulfonate

Systemtic Name: 3-chloranylpropyl 4-methylbenzenesulfonate Openeye Name: 3-chloropropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-chloropropyl ester IUPAC Name: 3-chloropropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-chloropropyl ester Formula: C10H13ClO3S MolecularWeight: 248.72642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13ClO3S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h3-6H,2,7-8H2,1H3