2-phosphono-3-(4-propan-2-ylcyclohexyl)butanedioic acid

Systemtic Name: 2-phosphono-3-(4-propan-2-ylcyclohexyl)butanedioic acid Openeye Name: 2-(4-isopropylcyclohexyl)-3-phosphono-butanedioic acid CAS Name: 2-phosphono-3-(4-propan-2-ylcyclohexyl)butanedioic acid IUPAC Name: 2-phosphono-3-(4-propan-2-ylcyclohexyl)butanedioic acid Traditional Name: 2-(4-isopropylcyclohexyl)-3-phosphono-succinic acid Formula: C13H23O7P MolecularWeight: 322.291281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(CC1)C(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

CC(C)C1CCC(CC1)C(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C13H23O7P/c1-7(2)8-3-5-9(6-4-8)10(12(14)15)11(13(16)17)21(18,19)20/h7-11H,3-6H2,1-2H3,(H,14,15)(H,16,17)(H2,18,19,20)