6-[3-(4-nonylphenyl)-1-(6-oxidanyl-6-oxidanylidene-hexoxy)prop-2-ynoxy]hexanoic acid

Systemtic Name: 6-[3-(4-nonylphenyl)-1-(6-oxidanyl-6-oxidanylidene-hexoxy)prop-2-ynoxy]hexanoic acid Openeye Name: 6-[1-(6-hydroxy-6-oxo-hexoxy)-3-(4-nonylphenyl)prop-2-ynoxy]hexanoic acid CAS Name: 6-[1-(6-hydroxy-6-oxohexoxy)-3-(4-nonylphenyl)prop-2-ynoxy]hexanoic acid IUPAC Name: 6-[1-(6-hydroxy-6-oxohexoxy)-3-(4-nonylphenyl)prop-2-ynoxy]hexanoic acid Traditional Name: 6-[1-(6-hydroxy-6-keto-hexoxy)-3-(4-nonylphenyl)prop-2-ynoxy]hexanoic acid Formula: C30H46O6 MolecularWeight: 502.68264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C#CC(OCCCCCC(=O)O)OCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C#CC(OCCCCCC(=O)O)OCCCCCC(=O)O

InChI

InChI=1S/C30H46O6/c1-2-3-4-5-6-7-10-15-26-18-20-27(21-19-26)22-23-30(35-24-13-8-11-16-28(31)32)36-25-14-9-12-17-29(33)34/h18-21,30H,2-17,24-25H2,1H3,(H,31,32)(H,33,34)