2-[(1S,3R)-1-oxidanyl-3-(3-oxidanyl-7-phenyl-heptyl)cyclohexyl]ethanoic acid

Systemtic Name: 2-[(1S,3R)-1-oxidanyl-3-(3-oxidanyl-7-phenyl-heptyl)cyclohexyl]ethanoic acid Openeye Name: 2-[(1S,3R)-1-hydroxy-3-(3-hydroxy-7-phenyl-heptyl)cyclohexyl]acetic acid CAS Name: 2-[(1S,3R)-1-hydroxy-3-(3-hydroxy-7-phenylheptyl)cyclohexyl]acetic acid IUPAC Name: 2-[(1S,3R)-1-hydroxy-3-(3-hydroxy-7-phenylheptyl)cyclohexyl]acetic acid Traditional Name: 2-[(1S,3R)-1-hydroxy-3-(3-hydroxy-7-phenyl-heptyl)cyclohexyl]acetic acid Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)(CC(=O)O)O)CCC(CCCCC2=CC=CC=C2)O

Isomeric SMILES

C1C[C@@H](C[C@@](C1)(CC(=O)O)O)CCC(CCCCC2=CC=CC=C2)O

InChI

InChI=1S/C21H32O4/c22-19(11-5-4-9-17-7-2-1-3-8-17)13-12-18-10-6-14-21(25,15-18)16-20(23)24/h1-3,7-8,18-19,22,25H,4-6,9-16H2,(H,23,24)/t18-,19?,21+/m1/s1