3,4,5-tri(dodecanoyloxy)-2-(phenylmethyl)benzoic acid

Systemtic Name: 3,4,5-tri(dodecanoyloxy)-2-(phenylmethyl)benzoic acid Openeye Name: 2-benzyl-3,4,5-tri(dodecanoyloxy)benzoic acid CAS Name: 3,4,5-tris(1-oxododecoxy)-2-(phenylmethyl)benzoic acid IUPAC Name: 2-benzyl-3,4,5-tri(dodecanoyloxy)benzoic acid Traditional Name: 2-benzyl-3,4,5-trilauroyloxy-benzoic acid Formula: C50H78O8 MolecularWeight: 807.14952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=C(C(=C(C(=C1)C(=O)O)CC2=CC=CC=C2)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=C(C(=C(C(=C1)C(=O)O)CC2=CC=CC=C2)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C50H78O8/c1-4-7-10-13-16-19-22-25-31-36-45(51)56-44-40-43(50(54)55)42(39-41-34-29-28-30-35-41)48(57-46(52)37-32-26-23-20-17-14-11-8-5-2)49(44)58-47(53)38-33-27-24-21-18-15-12-9-6-3/h28-30,34-35,40H,4-27,31-33,36-39H2,1-3H3,(H,54,55)