[(E,3S)-6,6-dimethyl-5-methylidene-1-phenyl-hept-1-en-3-yl] (2S)-2-acetyloxy-2-phenyl-ethanoate

Systemtic Name: [(E,3S)-6,6-dimethyl-5-methylidene-1-phenyl-hept-1-en-3-yl] (2S)-2-acetyloxy-2-phenyl-ethanoate Openeye Name: [(1S)-4,4-dimethyl-3-methylene-1-[(E)-styryl]pentyl] (2S)-2-acetoxy-2-phenyl-acetate CAS Name: (2S)-2-acetyloxy-2-phenylacetic acid [(E,3S)-6,6-dimethyl-5-methylene-1-phenylhept-1-en-3-yl] ester IUPAC Name: [(E,3S)-6,6-dimethyl-5-methylidene-1-phenylhept-1-en-3-yl] (2S)-2-acetyloxy-2-phenylacetate Traditional Name: (2S)-2-acetoxy-2-phenyl-acetic acid [(1S)-3-tert-butyl-1-[(E)-styryl]but-3-enyl] ester Formula: C26H30O4 MolecularWeight: 406.514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)C(=O)OC(CC(=C)C(C)(C)C)C=CC2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@@H](C1=CC=CC=C1)C(=O)O[C@@H](CC(=C)C(C)(C)C)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C26H30O4/c1-19(26(3,4)5)18-23(17-16-21-12-8-6-9-13-21)30-25(28)24(29-20(2)27)22-14-10-7-11-15-22/h6-17,23-24H,1,18H2,2-5H3/b17-16+/t23-,24+/m1/s1