[(2R,3R,6S)-3-acetyloxy-6-chloranyl-3,7-dimethyl-2-(3-phenylmethoxypropyl)oct-7-enyl] ethanoate

Systemtic Name: [(2R,3R,6S)-3-acetyloxy-6-chloranyl-3,7-dimethyl-2-(3-phenylmethoxypropyl)oct-7-enyl] ethanoate Openeye Name: [(2R,3R,6S)-3-acetoxy-2-(3-benzyloxypropyl)-6-chloro-3,7-dimethyl-oct-7-enyl] acetate CAS Name: acetic acid [(2R,3R,6S)-3-acetyloxy-6-chloro-3,7-dimethyl-2-(3-phenylmethoxypropyl)oct-7-enyl] ester IUPAC Name: [(2R,3R,6S)-3-acetyloxy-6-chloro-3,7-dimethyl-2-(3-phenylmethoxypropyl)oct-7-enyl] acetate Traditional Name: acetic acid [(2R,3R,6S)-3-acetoxy-2-(3-benzoxypropyl)-6-chloro-3,7-dimethyl-oct-7-enyl] ester Formula: C24H35ClO5 MolecularWeight: 438.9847

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(CCC(C)(C(CCCOCC1=CC=CC=C1)COC(=O)C)OC(=O)C)Cl

Isomeric SMILES

CC(=C)[C@H](CC[C@](C)([C@H](CCCOCC1=CC=CC=C1)COC(=O)C)OC(=O)C)Cl

InChI

InChI=1S/C24H35ClO5/c1-18(2)23(25)13-14-24(5,30-20(4)27)22(17-29-19(3)26)12-9-15-28-16-21-10-7-6-8-11-21/h6-8,10-11,22-23H,1,9,12-17H2,2-5H3/t22-,23+,24-/m1/s1