(6-ethanoyl-2,2-dimethyl-5-oxidanyl-3,4-dihydrochromen-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-ethanoyl-2,2-dimethyl-5-oxidanyl-3,4-dihydrochromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (6-acetyl-5-hydroxy-2,2-dimethyl-chroman-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-acetyl-5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-7-yl) ester IUPAC Name: (6-acetyl-5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-acetyl-5-hydroxy-2,2-dimethyl-chroman-7-yl) ester Formula: C20H22O6S MolecularWeight: 390.45008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C3CCC(OC3=C2)(C)C)O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C3CCC(OC3=C2)(C)C)O)C(=O)C

InChI

InChI=1S/C20H22O6S/c1-12-5-7-14(8-6-12)27(23,24)26-17-11-16-15(9-10-20(3,4)25-16)19(22)18(17)13(2)21/h5-8,11,22H,9-10H2,1-4H3