3-[1-[13-(3-ethylphenyl)-10-sulfanyl-icosan-10-yl]oxypropoxy]-2-oxidanyl-2-phosphoroso-propanoic acid

Systemtic Name: 3-[1-[13-(3-ethylphenyl)-10-sulfanyl-icosan-10-yl]oxypropoxy]-2-oxidanyl-2-phosphoroso-propanoic acid Openeye Name: 3-[1-[4-(3-ethylphenyl)-1-nonyl-1-sulfanyl-undecoxy]propoxy]-2-hydroxy-2-phosphoroso-propanoic acid CAS Name: 3-[1-[13-(3-ethylphenyl)-10-mercaptoeicosan-10-yl]oxypropoxy]-2-hydroxy-2-phosphorosopropanoic acid IUPAC Name: 3-[1-[13-(3-ethylphenyl)-10-sulfanylicosan-10-yl]oxypropoxy]-2-hydroxy-2-phosphorosopropanoic acid Traditional Name: 3-[1-[4-(3-ethylphenyl)-1-mercapto-1-nonyl-undecoxy]propoxy]-2-hydroxy-2-phosphoroso-propionic acid Formula: C34H59O6PS MolecularWeight: 626.867421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCC(CCCCCCC)C1=CC=CC(=C1)CC)(OC(CC)OCC(C(=O)O)(O)P=O)S

Isomeric SMILES

CCCCCCCCCC(CCC(CCCCCCC)C1=CC=CC(=C1)CC)(OC(CC)OCC(C(=O)O)(O)P=O)S

InChI

InChI=1S/C34H59O6PS/c1-5-9-11-13-14-16-18-24-33(42,40-31(8-4)39-27-34(37,41-38)32(35)36)25-23-29(21-17-15-12-10-6-2)30-22-19-20-28(7-3)26-30/h19-20,22,26,29,31,37,42H,5-18,21,23-25,27H2,1-4H3,(H,35,36)