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

Systemtic Name: (Z)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-6-phenylsulfanyl-hex-2-enoic acid Openeye Name: (Z)-2-[[ethoxy(isobutyl)phosphoryl]methyl]-6-phenylsulfanyl-hex-2-enoic acid CAS Name: (Z)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-6-(phenylthio)-2-hexenoic acid IUPAC Name: (Z)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-6-phenylsulfanylhex-2-enoic acid Traditional Name: (Z)-2-[[ethoxy(isobutyl)phosphoryl]methyl]-6-(phenylthio)hex-2-enoic acid Formula: C19H29O4PS MolecularWeight: 384.469921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29O4PS/c1-4-23-24(22,14-16(2)3)15-17(19(20)21)10-8-9-13-25-18-11-6-5-7-12-18/h5-7,10-12,16H,4,8-9,13-15H2,1-3H3,(H,20,21)/b17-10+