2-[1-(7-cyclopentyl-10-sulfanyl-nonadecan-10-yl)oxypropoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid

Systemtic Name: 2-[1-(7-cyclopentyl-10-sulfanyl-nonadecan-10-yl)oxypropoxy]-2-oxidanyl-2-phosphoroso-ethanoic acid Openeye Name: 2-[1-(4-cyclopentyl-1-nonyl-1-sulfanyl-decoxy)propoxy]-2-hydroxy-2-phosphoroso-acetic acid CAS Name: 2-[1-(7-cyclopentyl-10-mercaptononadecan-10-yl)oxypropoxy]-2-hydroxy-2-phosphorosoacetic acid IUPAC Name: 2-[1-(7-cyclopentyl-10-sulfanylnonadecan-10-yl)oxypropoxy]-2-hydroxy-2-phosphorosoacetic acid Traditional Name: 2-[1-(4-cyclopentyl-1-mercapto-1-nonyl-decoxy)propoxy]-2-hydroxy-2-phosphoroso-acetic acid Formula: C29H55O6PS MolecularWeight: 562.782161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCC(CCCCCC)C1CCCC1)(OC(CC)OC(C(=O)O)(O)P=O)S

Isomeric SMILES

CCCCCCCCCC(CCC(CCCCCC)C1CCCC1)(OC(CC)OC(C(=O)O)(O)P=O)S

InChI

InChI=1S/C29H55O6PS/c1-4-7-9-11-12-13-17-22-28(37,34-26(6-3)35-29(32,36-33)27(30)31)23-21-25(18-14-10-8-5-2)24-19-15-16-20-24/h24-26,32,37H,4-23H2,1-3H3,(H,30,31)