(7R,8S,10S)-7-[(E)-2-phenylethenyl]henicosane-8,10-diol

Systemtic Name: (7R,8S,10S)-7-[(E)-2-phenylethenyl]henicosane-8,10-diol Openeye Name: (7R,8S,10S)-7-[(E)-styryl]henicosane-8,10-diol CAS Name: (7R,8S,10S)-7-[(E)-2-phenylethenyl]heneicosane-8,10-diol IUPAC Name: (7R,8S,10S)-7-[(E)-2-phenylethenyl]henicosane-8,10-diol Traditional Name: (E,3R,4S,6S)-3-hexyl-1-phenyl-heptadec-1-ene-4,6-diol Formula: C29H50O2 MolecularWeight: 430.7061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H50O2/c1-3-5-7-9-10-11-12-13-18-22-28(30)25-29(31)27(21-17-8-6-4-2)24-23-26-19-15-14-16-20-26/h14-16,19-20,23-24,27-31H,3-13,17-18,21-22,25H2,1-2H3/b24-23+/t27-,28+,29+/m1/s1