4-[2-[2-(cyclohexylmethyl)-4,6-dimethyl-phenyl]ethynyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[2-[2-(cyclohexylmethyl)-4,6-dimethyl-phenyl]ethynyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoic acid Openeye Name: 4-[2-[2-(cyclohexylmethyl)-4,6-dimethyl-phenyl]ethynyl-hydroxy-phosphoryl]-3-hydroxy-butanoic acid CAS Name: 4-[2-[2-(cyclohexylmethyl)-4,6-dimethylphenyl]ethynyl-hydroxyphosphoryl]-3-hydroxybutanoic acid IUPAC Name: 4-[2-[2-(cyclohexylmethyl)-4,6-dimethylphenyl]ethynyl-hydroxyphosphoryl]-3-hydroxybutanoic acid Traditional Name: 4-[2-[2-(cyclohexylmethyl)-4,6-dimethyl-phenyl]ethynyl-hydroxy-phosphoryl]-3-hydroxy-butyric acid Formula: C21H29O5P MolecularWeight: 392.425721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CC2CCCCC2)C#CP(=O)(CC(CC(=O)O)O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CC2CCCCC2)C#CP(=O)(CC(CC(=O)O)O)O)C

InChI

InChI=1S/C21H29O5P/c1-15-10-16(2)20(18(11-15)12-17-6-4-3-5-7-17)8-9-27(25,26)14-19(22)13-21(23)24/h10-11,17,19,22H,3-7,12-14H2,1-2H3,(H,23,24)(H,25,26)