(Z,2S,3R)-2-methyl-3-(phenylmethoxymethyl)heptadec-4-enoic acid

Systemtic Name: (Z,2S,3R)-2-methyl-3-(phenylmethoxymethyl)heptadec-4-enoic acid Openeye Name: (Z,2S,3R)-3-(benzyloxymethyl)-2-methyl-heptadec-4-enoic acid CAS Name: (Z,2S,3R)-2-methyl-3-(phenylmethoxymethyl)-4-heptadecenoic acid IUPAC Name: (Z,2S,3R)-2-methyl-3-(phenylmethoxymethyl)heptadec-4-enoic acid Traditional Name: (Z,2S,3R)-3-(benzoxymethyl)-2-methyl-heptadec-4-enoic acid Formula: C26H42O3 MolecularWeight: 402.60988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(COCC1=CC=CC=C1)C(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC/C=C\[C@@H](COCC1=CC=CC=C1)[C@H](C)C(=O)O

InChI

InChI=1S/C26H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-25(23(2)26(27)28)22-29-21-24-18-15-14-16-19-24/h14-20,23,25H,3-13,21-22H2,1-2H3,(H,27,28)/b20-17-/t23-,25-/m0/s1