2-[(1R,2R,5R)-2-ethanoyl-1-methyl-5-[(2R)-6-methylheptan-2-yl]cyclopentyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(1R,2R,5R)-2-ethanoyl-1-methyl-5-[(2R)-6-methylheptan-2-yl]cyclopentyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(1R,2R,5R)-2-acetyl-5-[(1R)-1,5-dimethylhexyl]-1-methyl-cyclopentyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(1R,2R,5R)-1-methyl-2-[(2R)-6-methylheptan-2-yl]-5-(1-oxoethyl)cyclopentyl]ethyl ester IUPAC Name: 2-[(1R,2R,5R)-2-acetyl-1-methyl-5-[(2R)-6-methylheptan-2-yl]cyclopentyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(1R,2R,5R)-2-acetyl-5-[(1R)-1,5-dimethylhexyl]-1-methyl-cyclopentyl]ethyl ester Formula: C25H40O4S MolecularWeight: 437.640355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2(C(CCC2C(=O)C)C(C)CCCC(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@@]2([C@H](CC[C@H]2C(=O)[13CH3])[C@H](C)CCCC(C)C)C

InChI

InChI=1S/C25H40O4S/c1-18(2)8-7-9-20(4)23-14-15-24(21(5)26)25(23,6)16-17-29-30(27,28)22-12-10-19(3)11-13-22/h10-13,18,20,23-24H,7-9,14-17H2,1-6H3/t20-,23-,24+,25-/m1/s1/i5+1