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

Systemtic Name: 2-[1-[13-(3-ethylphenyl)-10-sulfanyl-icosan-10-yl]oxypropoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid Openeye Name: 2-[1-[4-(3-ethylphenyl)-1-nonyl-1-sulfanyl-undecoxy]propoxy]-2-hydroxy-2-phosphoroso-acetic acid CAS Name: 2-[1-[13-(3-ethylphenyl)-10-mercaptoeicosan-10-yl]oxypropoxy]-2-hydroxy-2-phosphorosoacetic acid IUPAC Name: 2-[1-[13-(3-ethylphenyl)-10-sulfanylicosan-10-yl]oxypropoxy]-2-hydroxy-2-phosphorosoacetic acid Traditional Name: 2-[1-[4-(3-ethylphenyl)-1-mercapto-1-nonyl-undecoxy]propoxy]-2-hydroxy-2-phosphoroso-acetic acid Formula: C33H57O6PS MolecularWeight: 612.840841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H57O6PS/c1-5-9-11-13-14-16-18-24-32(41,38-30(8-4)39-33(36,40-37)31(34)35)25-23-28(21-17-15-12-10-6-2)29-22-19-20-27(7-3)26-29/h19-20,22,26,28,30,36,41H,5-18,21,23-25H2,1-4H3,(H,34,35)