[(7R,8S,10S)-8-acetyloxy-7-[(E)-2-phenylethenyl]henicosan-10-yl] ethanoate

Systemtic Name: [(7R,8S,10S)-8-acetyloxy-7-[(E)-2-phenylethenyl]henicosan-10-yl] ethanoate Openeye Name: [(1S)-1-[(2S,3R)-2-acetoxy-3-[(E)-styryl]nonyl]dodecyl] acetate CAS Name: acetic acid [(7R,8S,10S)-8-acetyloxy-7-[(E)-2-phenylethenyl]heneicosan-10-yl] ester IUPAC Name: [(7R,8S,10S)-8-acetyloxy-7-[(E)-2-phenylethenyl]henicosan-10-yl] acetate Traditional Name: acetic acid [(E,1S,3S,4R)-3-acetoxy-4-hexyl-6-phenyl-1-undecyl-hex-5-enyl] ester Formula: C33H54O4 MolecularWeight: 514.77946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C(CCCCCC)C=CC1=CC=CC=C1)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)/C=C/C1=CC=CC=C1)OC(=O)C)OC(=O)C

InChI

InChI=1S/C33H54O4/c1-5-7-9-11-12-13-14-15-20-24-32(36-28(3)34)27-33(37-29(4)35)31(23-19-10-8-6-2)26-25-30-21-17-16-18-22-30/h16-18,21-22,25-26,31-33H,5-15,19-20,23-24,27H2,1-4H3/b26-25+/t31-,32+,33+/m1/s1