3-[12-[2-methyl-3,3-bis(oxidanyl)propanoyl]oxydodecoxy]-4-phenyl-benzoic acid

Systemtic Name: 3-[12-[2-methyl-3,3-bis(oxidanyl)propanoyl]oxydodecoxy]-4-phenyl-benzoic acid Openeye Name: 3-[12-(3,3-dihydroxy-2-methyl-propanoyl)oxydodecoxy]-4-phenyl-benzoic acid CAS Name: 3-[12-(3,3-dihydroxy-2-methyl-1-oxopropoxy)dodecoxy]-4-phenylbenzoic acid IUPAC Name: 3-[12-(3,3-dihydroxy-2-methylpropanoyl)oxydodecoxy]-4-phenylbenzoic acid Traditional Name: 3-[12-(3,3-dihydroxy-2-methyl-propanoyl)oxydodecoxy]-4-phenyl-benzoic acid Formula: C29H40O7 MolecularWeight: 500.6237

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(O)O)C(=O)OCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C(O)O)C(=O)OCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C29H40O7/c1-22(27(30)31)29(34)36-20-14-9-7-5-3-2-4-6-8-13-19-35-26-21-24(28(32)33)17-18-25(26)23-15-11-10-12-16-23/h10-12,15-18,21-22,27,30-31H,2-9,13-14,19-20H2,1H3,(H,32,33)