3-[1,3-bis(2-carboxyethyl)-3-(cyclohexen-1-yl)-2-oxidanylidene-cyclohexyl]propanoic acid

Systemtic Name: 3-[1,3-bis(2-carboxyethyl)-3-(cyclohexen-1-yl)-2-oxidanylidene-cyclohexyl]propanoic acid Openeye Name: 3-[1,3-bis(2-carboxyethyl)-3-(cyclohexen-1-yl)-2-oxo-cyclohexyl]propanoic acid CAS Name: 3-[1,3-bis(2-carboxyethyl)-3-(1-cyclohexenyl)-2-oxocyclohexyl]propanoic acid IUPAC Name: 3-[1,3-bis(2-carboxyethyl)-3-(cyclohexen-1-yl)-2-oxocyclohexyl]propanoic acid Traditional Name: 3-[1,3-bis(2-carboxyethyl)-3-(cyclohexen-1-yl)-2-keto-cyclohexyl]propionic acid Formula: C21H30O7 MolecularWeight: 394.4587

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C2(CCCC(C2=O)(CCC(=O)O)CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1CCC(=CC1)C2(CCCC(C2=O)(CCC(=O)O)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C21H30O7/c22-16(23)7-12-20(13-8-17(24)25)10-4-11-21(19(20)28,14-9-18(26)27)15-5-2-1-3-6-15/h5H,1-4,6-14H2,(H,22,23)(H,24,25)(H,26,27)