1-[1-[1-[1,2-bis(oxidanyl)heptan-4-yl]cycloheptyl]cycloheptyl]cycloheptane-1-carboxylate

Systemtic Name: 1-[1-[1-[1,2-bis(oxidanyl)heptan-4-yl]cycloheptyl]cycloheptyl]cycloheptane-1-carboxylate Openeye Name: 1-[1-[1-(3,4-dihydroxy-1-propyl-butyl)cycloheptyl]cycloheptyl]cycloheptanecarboxylate CAS Name: 1-[1-[1-(1,2-dihydroxyheptan-4-yl)cycloheptyl]cycloheptyl]-1-cycloheptanecarboxylate IUPAC Name: 1-[1-[1-(1,2-dihydroxyheptan-4-yl)cycloheptyl]cycloheptyl]cycloheptane-1-carboxylate Traditional Name: 1-[1-[1-(3,4-dihydroxy-1-propyl-butyl)cycloheptyl]cycloheptyl]cycloheptanecarboxylate Formula: C29H51O4- MolecularWeight: 463.71284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(CO)O)C1(CCCCCC1)C2(CCCCCC2)C3(CCCCCC3)C(=O)[O-]

Isomeric SMILES

CCCC(CC(CO)O)C1(CCCCCC1)C2(CCCCCC2)C3(CCCCCC3)C(=O)[O-]

InChI

InChI=1S/C29H52O4/c1-2-15-24(22-25(31)23-30)27(16-9-3-4-10-17-27)29(20-13-7-8-14-21-29)28(26(32)33)18-11-5-6-12-19-28/h24-25,30-31H,2-23H2,1H3,(H,32,33)/p-1