3-[1-[2-(hydroxymethyl)-4-oxidanyl-butanoyl]oxydodecoxy]-4-phenyl-benzoic acid

Systemtic Name: 3-[1-[2-(hydroxymethyl)-4-oxidanyl-butanoyl]oxydodecoxy]-4-phenyl-benzoic acid Openeye Name: 3-[1-[4-hydroxy-2-(hydroxymethyl)butanoyl]oxydodecoxy]-4-phenyl-benzoic acid CAS Name: 3-[1-[4-hydroxy-2-(hydroxymethyl)-1-oxobutoxy]dodecoxy]-4-phenylbenzoic acid IUPAC Name: 3-[1-[4-hydroxy-2-(hydroxymethyl)butanoyl]oxydodecoxy]-4-phenylbenzoic acid Traditional Name: 3-[1-(4-hydroxy-2-methylol-butanoyl)oxydodecoxy]-4-phenyl-benzoic acid Formula: C30H42O7 MolecularWeight: 514.65028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(OC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2)OC(=O)C(CCO)CO

Isomeric SMILES

CCCCCCCCCCCC(OC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2)OC(=O)C(CCO)CO

InChI

InChI=1S/C30H42O7/c1-2-3-4-5-6-7-8-9-13-16-28(37-30(35)25(22-32)19-20-31)36-27-21-24(29(33)34)17-18-26(27)23-14-11-10-12-15-23/h10-12,14-15,17-18,21,25,28,31-32H,2-9,13,16,19-20,22H2,1H3,(H,33,34)