[4-(3-methylbut-2-enoyl)-3-oxidanyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(3-methylbut-2-enoyl)-3-oxidanyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [3-hydroxy-4-(3-methylbut-2-enoyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-hydroxy-4-(3-methyl-1-oxobut-2-enyl)phenyl] ester IUPAC Name: [3-hydroxy-4-(3-methylbut-2-enoyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-hydroxy-4-(3-methylbut-2-enoyl)phenyl] ester Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O5S/c1-12(2)10-17(19)16-9-6-14(11-18(16)20)23-24(21,22)15-7-4-13(3)5-8-15/h4-11,20H,1-3H3