3-[10-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoyl]oxydecoxy]-4-phenyl-benzoate

Systemtic Name: 3-[10-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoyl]oxydecoxy]-4-phenyl-benzoate Openeye Name: 3-[10-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoyl]oxydecoxy]-4-phenyl-benzoate CAS Name: 3-[10-[3-hydroxy-2-(hydroxymethyl)-2-methyl-1-oxopropoxy]decoxy]-4-phenylbenzoate IUPAC Name: 3-[10-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxydecoxy]-4-phenylbenzoate Traditional Name: 3-[10-(3-hydroxy-2-methyl-2-methylol-propanoyl)oxydecoxy]-4-phenyl-benzoate Formula: C28H37O7- MolecularWeight: 485.58918

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)C(=O)OCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(CO)(CO)C(=O)OCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C28H38O7/c1-28(20-29,21-30)27(33)35-18-12-7-5-3-2-4-6-11-17-34-25-19-23(26(31)32)15-16-24(25)22-13-9-8-10-14-22/h8-10,13-16,19,29-30H,2-7,11-12,17-18,20-21H2,1H3,(H,31,32)/p-1