4-[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoylamino]benzoic acid

Systemtic Name: 4-[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoylamino]benzoic acid Openeye Name: 4-[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoylamino]benzoic acid CAS Name: 4-[[3-[2,3-bis(1-oxohexadecoxy)propylthio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoylamino]benzoic acid Traditional Name: 4-[3-[2,3-di(hexadecanoyloxy)propylthio]propanoylamino]benzoic acid Formula: C45H77NO7S MolecularWeight: 776.16038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CSCCC(=O)NC1=CC=C(C=C1)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CSCCC(=O)NC1=CC=C(C=C1)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C45H77NO7S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-43(48)52-37-41(38-54-36-35-42(47)46-40-33-31-39(32-34-40)45(50)51)53-44(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34,41H,3-30,35-38H2,1-2H3,(H,46,47)(H,50,51)