2-[(5S,7R)-7-(methoxymethoxy)-1-phenylmethoxy-dec-9-en-5-yl]oxycarbonylbenzoic acid

Systemtic Name: 2-[(5S,7R)-7-(methoxymethoxy)-1-phenylmethoxy-dec-9-en-5-yl]oxycarbonylbenzoic acid Openeye Name: 2-[(1S,3R)-1-(4-benzyloxybutyl)-3-(methoxymethoxy)hex-5-enoxy]carbonylbenzoic acid CAS Name: 2-[[(5S,7R)-7-(methoxymethoxy)-1-phenylmethoxydec-9-en-5-yl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-[(5S,7R)-7-(methoxymethoxy)-1-phenylmethoxydec-9-en-5-yl]oxycarbonylbenzoic acid Traditional Name: 2-[(1S,3R)-1-(4-benzoxybutyl)-3-(methoxymethoxy)hex-5-enoxy]carbonylbenzoic acid Formula: C27H34O7 MolecularWeight: 470.55466

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Descriptors Computed from Structure

Canonical SMILES:

COCOC(CC=C)CC(CCCCOCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

COCO[C@H](CC=C)C[C@H](CCCCOCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C27H34O7/c1-3-11-22(33-20-31-2)18-23(14-9-10-17-32-19-21-12-5-4-6-13-21)34-27(30)25-16-8-7-15-24(25)26(28)29/h3-8,12-13,15-16,22-23H,1,9-11,14,17-20H2,2H3,(H,28,29)/t22-,23+/m1/s1