[4-[(E)-4-oxidanylbut-2-en-2-yl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-4-oxidanylbut-2-en-2-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-hydroxy-1-methyl-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-4-hydroxybut-2-en-2-yl]phenyl] ester IUPAC Name: [4-[(E)-4-hydroxybut-2-en-2-yl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-hydroxy-1-methyl-prop-1-enyl]phenyl] ester Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=CCO)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C(=C/CO)/C

InChI

InChI=1S/C17H18O4S/c1-13-3-9-17(10-4-13)22(19,20)21-16-7-5-15(6-8-16)14(2)11-12-18/h3-11,18H,12H2,1-2H3/b14-11+