2-[1-oxidanyl-3-[(E)-3-oxidanyl-13-phenoxy-tridec-1-enyl]cyclohexyl]ethanoate

Systemtic Name: 2-[1-oxidanyl-3-[(E)-3-oxidanyl-13-phenoxy-tridec-1-enyl]cyclohexyl]ethanoate Openeye Name: 2-[1-hydroxy-3-[(E)-3-hydroxy-13-phenoxy-tridec-1-enyl]cyclohexyl]acetate CAS Name: 2-[1-hydroxy-3-[(E)-3-hydroxy-13-phenoxytridec-1-enyl]cyclohexyl]acetate IUPAC Name: 2-[1-hydroxy-3-[(E)-3-hydroxy-13-phenoxytridec-1-enyl]cyclohexyl]acetate Traditional Name: 2-[1-hydroxy-3-[(E)-3-hydroxy-13-phenoxy-tridec-1-enyl]cyclohexyl]acetate Formula: C27H41O5- MolecularWeight: 445.61144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)(CC(=O)[O-])O)C=CC(CCCCCCCCCCOC2=CC=CC=C2)O

Isomeric SMILES

C1CC(CC(C1)(CC(=O)[O-])O)/C=C/C(CCCCCCCCCCOC2=CC=CC=C2)O

InChI

InChI=1S/C27H42O5/c28-24(18-17-23-13-12-19-27(31,21-23)22-26(29)30)14-8-5-3-1-2-4-6-11-20-32-25-15-9-7-10-16-25/h7,9-10,15-18,23-24,28,31H,1-6,8,11-14,19-22H2,(H,29,30)/p-1/b18-17+