tert-butyl (1R,3R)-2,2-dimethyl-3-[(E)-3-methyl-7-oxidanyl-2-(phenylsulfonyl)oct-3-enyl]cyclopropane-1-carboxylate

Systemtic Name: tert-butyl (1R,3R)-2,2-dimethyl-3-[(E)-3-methyl-7-oxidanyl-2-(phenylsulfonyl)oct-3-enyl]cyclopropane-1-carboxylate Openeye Name: tert-butyl (1R,3R)-3-[(E)-2-(benzenesulfonyl)-7-hydroxy-3-methyl-oct-3-enyl]-2,2-dimethyl-cyclopropanecarboxylate CAS Name: (1R,3R)-3-[(E)-2-(benzenesulfonyl)-7-hydroxy-3-methyloct-3-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,3R)-3-[(E)-2-(benzenesulfonyl)-7-hydroxy-3-methyloct-3-enyl]-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: (1R,3R)-3-[(E)-2-besyl-7-hydroxy-3-methyl-oct-3-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid tert-butyl ester Formula: C25H38O5S MolecularWeight: 450.63122

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C(CC1C(C1(C)C)C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(CC/C=C(\C)/C(C[C@@H]1[C@H](C1(C)C)C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C25H38O5S/c1-17(12-11-13-18(2)26)21(31(28,29)19-14-9-8-10-15-19)16-20-22(25(20,6)7)23(27)30-24(3,4)5/h8-10,12,14-15,18,20-22,26H,11,13,16H2,1-7H3/b17-12+/t18?,20-,21?,22+/m1/s1