[(2R)-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-methyl-2-(4-methylpent-3-enyl)-1-benzopyran-6-yl] ester IUPAC Name: [(2R)-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl] ester Formula: C23H26O4S MolecularWeight: 398.51514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)OC(C=C3)(C)CCC=C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)O[C@](C=C3)(C)CCC=C(C)C

InChI

InChI=1S/C23H26O4S/c1-17(2)6-5-14-23(4)15-13-19-16-20(9-12-22(19)26-23)27-28(24,25)21-10-7-18(3)8-11-21/h6-13,15-16H,5,14H2,1-4H3/t23-/m1/s1