[4-acetyloxy-5-[(3S,5S)-3,5-dimethyl-6-phenylmethoxy-hex-1-ynyl]-2-methoxy-3-methyl-phenyl] ethanoate

Systemtic Name: [4-acetyloxy-5-[(3S,5S)-3,5-dimethyl-6-phenylmethoxy-hex-1-ynyl]-2-methoxy-3-methyl-phenyl] ethanoate Openeye Name: [4-acetoxy-5-[(3S,5S)-6-benzyloxy-3,5-dimethyl-hex-1-ynyl]-2-methoxy-3-methyl-phenyl] acetate CAS Name: acetic acid [4-acetyloxy-5-[(3S,5S)-3,5-dimethyl-6-phenylmethoxyhex-1-ynyl]-2-methoxy-3-methylphenyl] ester IUPAC Name: [4-acetyloxy-5-[(3S,5S)-3,5-dimethyl-6-phenylmethoxyhex-1-ynyl]-2-methoxy-3-methylphenyl] acetate Traditional Name: acetic acid [4-acetoxy-5-[(3S,5S)-6-benzoxy-3,5-dimethyl-hex-1-ynyl]-2-methoxy-3-methyl-phenyl] ester Formula: C27H32O6 MolecularWeight: 452.53938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1OC)OC(=O)C)C#CC(C)CC(C)COCC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC1=C(C(=CC(=C1OC)OC(=O)C)C#C[C@@H](C)C[C@H](C)COCC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C27H32O6/c1-18(14-19(2)16-31-17-23-10-8-7-9-11-23)12-13-24-15-25(32-21(4)28)27(30-6)20(3)26(24)33-22(5)29/h7-11,15,18-19H,14,16-17H2,1-6H3/t18-,19+/m1/s1