2-[4-[4-(4-octoxyphenyl)phenyl]carbonyloxyphenyl]sulfanylpropanoate

Systemtic Name: 2-[4-[4-(4-octoxyphenyl)phenyl]carbonyloxyphenyl]sulfanylpropanoate Openeye Name: 2-[4-[4-(4-octoxyphenyl)benzoyl]oxyphenyl]sulfanylpropanoate CAS Name: 2-[[4-[[4-(4-octoxyphenyl)phenyl]-oxomethoxy]phenyl]thio]propanoate IUPAC Name: 2-[4-[4-(4-octoxyphenyl)benzoyl]oxyphenyl]sulfanylpropanoate Traditional Name: 2-[[4-[4-(4-octoxyphenyl)benzoyl]oxyphenyl]thio]propionate Formula: C30H33O5S- MolecularWeight: 505.64502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)SC(C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)SC(C)C(=O)[O-]

InChI

InChI=1S/C30H34O5S/c1-3-4-5-6-7-8-21-34-26-15-13-24(14-16-26)23-9-11-25(12-10-23)30(33)35-27-17-19-28(20-18-27)36-22(2)29(31)32/h9-20,22H,3-8,21H2,1-2H3,(H,31,32)/p-1