[4-[(3R,4R)-4-acetyloxy-7-phenylsulfanyl-oct-7-en-3-yl]oxy-4-methoxy-butyl] 2,2-dimethylpropanoate

Systemtic Name: [4-[(3R,4R)-4-acetyloxy-7-phenylsulfanyl-oct-7-en-3-yl]oxy-4-methoxy-butyl] 2,2-dimethylpropanoate Openeye Name: [4-[(1R,2R)-2-acetoxy-1-ethyl-5-phenylsulfanyl-hex-5-enoxy]-4-methoxy-butyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[(3R,4R)-4-acetyloxy-7-(phenylthio)oct-7-en-3-yl]oxy-4-methoxybutyl] ester IUPAC Name: [4-[(3R,4R)-4-acetyloxy-7-phenylsulfanyloct-7-en-3-yl]oxy-4-methoxybutyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(1R,2R)-2-acetoxy-1-ethyl-5-(phenylthio)hex-5-enoxy]-4-methoxy-butyl] ester Formula: C26H40O6S MolecularWeight: 480.6572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCC(=C)SC1=CC=CC=C1)OC(=O)C)OC(CCCOC(=O)C(C)(C)C)OC

Isomeric SMILES

CC[C@H]([C@@H](CCC(=C)SC1=CC=CC=C1)OC(=O)C)OC(CCCOC(=O)C(C)(C)C)OC

InChI

InChI=1S/C26H40O6S/c1-8-22(32-24(29-7)15-12-18-30-25(28)26(4,5)6)23(31-20(3)27)17-16-19(2)33-21-13-10-9-11-14-21/h9-11,13-14,22-24H,2,8,12,15-18H2,1,3-7H3/t22-,23-,24?/m1/s1