[4-(3,3-dimethyloxiran-2-yl)carbonyl-3-oxidanyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(3,3-dimethyloxiran-2-yl)carbonyl-3-oxidanyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(3,3-dimethyloxirane-2-carbonyl)-3-hydroxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(3,3-dimethyl-2-oxiranyl)-oxomethyl]-3-hydroxyphenyl] ester IUPAC Name: [4-(3,3-dimethyloxirane-2-carbonyl)-3-hydroxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(3,3-dimethyloxirane-2-carbonyl)-3-hydroxy-phenyl] ester Formula: C18H18O6S MolecularWeight: 362.39692

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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)C3C(O3)(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)C(=O)C3C(O3)(C)C)O

InChI

InChI=1S/C18H18O6S/c1-11-4-7-13(8-5-11)25(21,22)24-12-6-9-14(15(19)10-12)16(20)17-18(2,3)23-17/h4-10,17,19H,1-3H3