2-[(E,6R,8S)-6,8-bis(oxidanyl)-11-phenylmethoxy-undec-1-enyl]-6-methoxy-benzoic acid

Systemtic Name: 2-[(E,6R,8S)-6,8-bis(oxidanyl)-11-phenylmethoxy-undec-1-enyl]-6-methoxy-benzoic acid Openeye Name: 2-[(E,6R,8S)-11-benzyloxy-6,8-dihydroxy-undec-1-enyl]-6-methoxy-benzoic acid CAS Name: 2-[(E,6R,8S)-6,8-dihydroxy-11-phenylmethoxyundec-1-enyl]-6-methoxybenzoic acid IUPAC Name: 2-[(E,6R,8S)-6,8-dihydroxy-11-phenylmethoxyundec-1-enyl]-6-methoxybenzoic acid Traditional Name: 2-[(E,6R,8S)-11-benzoxy-6,8-dihydroxy-undec-1-enyl]-6-methoxy-benzoic acid Formula: C26H34O6 MolecularWeight: 442.54456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C(=O)O)C=CCCCC(CC(CCCOCC2=CC=CC=C2)O)O

Isomeric SMILES

COC1=CC=CC(=C1C(=O)O)/C=C/CCC[C@H](C[C@H](CCCOCC2=CC=CC=C2)O)O

InChI

InChI=1S/C26H34O6/c1-31-24-16-8-13-21(25(24)26(29)30)12-6-3-7-14-22(27)18-23(28)15-9-17-32-19-20-10-4-2-5-11-20/h2,4-6,8,10-13,16,22-23,27-28H,3,7,9,14-15,17-19H2,1H3,(H,29,30)/b12-6+/t22-,23+/m1/s1