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

Systemtic Name: ethyl 2-[1-oxidanyl-3-[(E)-3-oxidanyl-13-phenoxy-tridec-1-enyl]cyclohexyl]ethanoate Openeye Name: ethyl 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]acetic acid ethyl ester IUPAC Name: ethyl 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]acetic acid ethyl ester Formula: C29H46O5 MolecularWeight: 474.67254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CCCC(C1)C=CC(CCCCCCCCCCOC2=CC=CC=C2)O)O

Isomeric SMILES

CCOC(=O)CC1(CCCC(C1)/C=C/C(CCCCCCCCCCOC2=CC=CC=C2)O)O

InChI

InChI=1S/C29H46O5/c1-2-33-28(31)24-29(32)21-14-15-25(23-29)19-20-26(30)16-10-7-5-3-4-6-8-13-22-34-27-17-11-9-12-18-27/h9,11-12,17-20,25-26,30,32H,2-8,10,13-16,21-24H2,1H3/b20-19+