prop-2-enyl 4-[2-oxidanyl-3-[4-(5-phenylpentylsulfanyl)phenoxy]propoxy]benzoate

Systemtic Name: prop-2-enyl 4-[2-oxidanyl-3-[4-(5-phenylpentylsulfanyl)phenoxy]propoxy]benzoate Openeye Name: allyl 4-[2-hydroxy-3-[4-(5-phenylpentylsulfanyl)phenoxy]propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[4-(5-phenylpentylthio)phenoxy]propoxy]benzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[2-hydroxy-3-[4-(5-phenylpentylsulfanyl)phenoxy]propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[4-(5-phenylpentylthio)phenoxy]propoxy]benzoic acid allyl ester Formula: C30H34O5S MolecularWeight: 506.65296

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)SCCCCCC3=CC=CC=C3)O

Isomeric SMILES

C=CCOC(=O)C1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)SCCCCCC3=CC=CC=C3)O

InChI

InChI=1S/C30H34O5S/c1-2-20-33-30(32)25-12-14-27(15-13-25)34-22-26(31)23-35-28-16-18-29(19-17-28)36-21-8-4-7-11-24-9-5-3-6-10-24/h2-3,5-6,9-10,12-19,26,31H,1,4,7-8,11,20-23H2