(Z)-2-[[2-methylpropyl(oxidanyl)phosphoryl]methyl]-6-phenylsulfanyl-hex-2-enoic acid

Systemtic Name: (Z)-2-[[2-methylpropyl(oxidanyl)phosphoryl]methyl]-6-phenylsulfanyl-hex-2-enoic acid Openeye Name: (Z)-2-[[hydroxy(isobutyl)phosphoryl]methyl]-6-phenylsulfanyl-hex-2-enoic acid CAS Name: (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-6-(phenylthio)-2-hexenoic acid IUPAC Name: (Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-6-phenylsulfanylhex-2-enoic acid Traditional Name: (Z)-2-[[hydroxy(isobutyl)phosphoryl]methyl]-6-(phenylthio)hex-2-enoic acid Formula: C17H25O4PS MolecularWeight: 356.416761

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CP(=O)(CC(=CCCCSC1=CC=CC=C1)C(=O)O)O

Isomeric SMILES

CC(C)CP(=O)(C/C(=C\CCCSC1=CC=CC=C1)/C(=O)O)O

InChI

InChI=1S/C17H25O4PS/c1-14(2)12-22(20,21)13-15(17(18)19)8-6-7-11-23-16-9-4-3-5-10-16/h3-5,8-10,14H,6-7,11-13H2,1-2H3,(H,18,19)(H,20,21)/b15-8+