(6-ethanoyl-5-methoxy-2,2-dimethyl-chromen-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-ethanoyl-5-methoxy-2,2-dimethyl-chromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (6-acetyl-5-methoxy-2,2-dimethyl-chromen-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-acetyl-5-methoxy-2,2-dimethyl-1-benzopyran-7-yl) ester IUPAC Name: (6-acetyl-5-methoxy-2,2-dimethylchromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-acetyl-5-methoxy-2,2-dimethyl-chromen-7-yl) ester Formula: C21H22O6S MolecularWeight: 402.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C3C=CC(OC3=C2)(C)C)OC)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C3C=CC(OC3=C2)(C)C)OC)C(=O)C

InChI

InChI=1S/C21H22O6S/c1-13-6-8-15(9-7-13)28(23,24)27-18-12-17-16(10-11-21(3,4)26-17)20(25-5)19(18)14(2)22/h6-12H,1-5H3