3-[12-[2-(hydroxymethyl)-4-oxidanyl-butanoyl]oxydodecoxy]-4-phenyl-benzoic acid

Systemtic Name: 3-[12-[2-(hydroxymethyl)-4-oxidanyl-butanoyl]oxydodecoxy]-4-phenyl-benzoic acid Openeye Name: 3-[12-[4-hydroxy-2-(hydroxymethyl)butanoyl]oxydodecoxy]-4-phenyl-benzoic acid CAS Name: 3-[12-[4-hydroxy-2-(hydroxymethyl)-1-oxobutoxy]dodecoxy]-4-phenylbenzoic acid IUPAC Name: 3-[12-[4-hydroxy-2-(hydroxymethyl)butanoyl]oxydodecoxy]-4-phenylbenzoic acid Traditional Name: 3-[12-(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:

C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)OCCCCCCCCCCCCOC(=O)C(CCO)CO

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)OCCCCCCCCCCCCOC(=O)C(CCO)CO

InChI

InChI=1S/C30H42O7/c31-19-18-26(23-32)30(35)37-21-13-8-6-4-2-1-3-5-7-12-20-36-28-22-25(29(33)34)16-17-27(28)24-14-10-9-11-15-24/h9-11,14-17,22,26,31-32H,1-8,12-13,18-21,23H2,(H,33,34)