ethyl 2-[4-[4-(1-ethoxy-1-oxidanylidene-octan-2-yl)oxy-2-oxidanyl-phenyl]carbonyl-3-oxidanyl-phenoxy]octanoate

Systemtic Name: ethyl 2-[4-[4-(1-ethoxy-1-oxidanylidene-octan-2-yl)oxy-2-oxidanyl-phenyl]carbonyl-3-oxidanyl-phenoxy]octanoate Openeye Name: ethyl 2-[4-[4-(1-ethoxycarbonylheptoxy)-2-hydroxy-benzoyl]-3-hydroxy-phenoxy]octanoate CAS Name: 2-[4-[[4-(1-ethoxy-1-oxooctan-2-yl)oxy-2-hydroxyphenyl]-oxomethyl]-3-hydroxyphenoxy]octanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-(1-ethoxy-1-oxooctan-2-yl)oxy-2-hydroxybenzoyl]-3-hydroxyphenoxy]octanoate Traditional Name: 2-[4-[4-(1-carbethoxyheptoxy)-2-hydroxy-benzoyl]-3-hydroxy-phenoxy]caprylic acid ethyl ester Formula: C33H46O9 MolecularWeight: 586.71294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCC)OC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)OC(CCCCCC)C(=O)OCC)O)O

Isomeric SMILES

CCCCCCC(C(=O)OCC)OC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)OC(CCCCCC)C(=O)OCC)O)O

InChI

InChI=1S/C33H46O9/c1-5-9-11-13-15-29(32(37)39-7-3)41-23-17-19-25(27(34)21-23)31(36)26-20-18-24(22-28(26)35)42-30(33(38)40-8-4)16-14-12-10-6-2/h17-22,29-30,34-35H,5-16H2,1-4H3