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

Systemtic Name: (6-ethanoyl-2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (6-acetyl-5-benzyloxy-2,2-dimethyl-chroman-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-acetyl-2,2-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-7-yl) ester IUPAC Name: (6-acetyl-2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-acetyl-5-benzoxy-2,2-dimethyl-chroman-7-yl) ester Formula: C27H28O6S MolecularWeight: 480.57262

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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)OCC4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C3CCC(OC3=C2)(C)C)OCC4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C27H28O6S/c1-18-10-12-21(13-11-18)34(29,30)33-24-16-23-22(14-15-27(3,4)32-23)26(25(24)19(2)28)31-17-20-8-6-5-7-9-20/h5-13,16H,14-15,17H2,1-4H3