[2-(3-chloranylpropyl)-4,6,7-trimethyl-1,3-benzoxathiol-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3-chloranylpropyl)-4,6,7-trimethyl-1,3-benzoxathiol-5-yl] 4-methylbenzenesulfonate Openeye Name: [2-(3-chloropropyl)-4,6,7-trimethyl-1,3-benzoxathiol-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3-chloropropyl)-4,6,7-trimethyl-1,3-benzoxathiol-5-yl] ester IUPAC Name: [2-(3-chloropropyl)-4,6,7-trimethyl-1,3-benzoxathiol-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(3-chloropropyl)-4,6,7-trimethyl-1,3-benzoxathiol-5-yl] ester Formula: C20H23ClO4S2 MolecularWeight: 426.97722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C(=C2C)C)OC(S3)CCCCl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C(=C2C)C)OC(S3)CCCCl)C

InChI

InChI=1S/C20H23ClO4S2/c1-12-7-9-16(10-8-12)27(22,23)25-18-13(2)14(3)19-20(15(18)4)26-17(24-19)6-5-11-21/h7-10,17H,5-6,11H2,1-4H3