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benzoic acid; 15,15-bis(hydroxymethyl)-16-oxidanyl-hexadecanoate

benzoic acid; 15,15-bis(hydroxymethyl)-16-oxidanyl-hexadecanoate

Systemtic Name:benzoic acid; 15,15-bis(hydroxymethyl)-16-oxidanyl-hexadecanoate
Openeye Name:benzoic acid; 16-hydroxy-15,15-bis(hydroxymethyl)hexadecanoate
CAS Name:benzoic acid; 16-hydroxy-15,15-bis(hydroxymethyl)hexadecanoate
IUPAC Name:benzoic acid; 16-hydroxy-15,15-bis(hydroxymethyl)hexadecanoate
Traditional Name:benzoic acid; 16-hydroxy-15,15-dimethylol-palmitate
Formula: C32H47O9-
MolecularWeight: 575.71018
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C(CCCCCCC(=O)[O-])CCCCCCC(CO)(CO)CO


Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C(CCCCCCC(=O)[O-])CCCCCCC(CO)(CO)CO


InChI

InChI=1S/C18H36O5.2C7H6O2/c19-14-18(15-20,16-21)13-11-9-7-5-3-1-2-4-6-8-10-12-17(22)23;2*8-7(9)6-4-2-1-3-5-6/h19-21H,1-16H2,(H,22,23);2*1-5H,(H,8,9)/p-1


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