2-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylsulfanyl]-2-(phenylmethyl)butanethioic S-acid

Systemtic Name: 2-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylsulfanyl]-2-(phenylmethyl)butanethioic S-acid Openeye Name: 2-benzyl-2-[[4-[(4-vinylphenyl)methoxy]phenyl]methylsulfanyl]butanethioic S-acid CAS Name: 2-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylthio]-2-(phenylmethyl)butanethioic S-acid IUPAC Name: 2-benzyl-2-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylsulfanyl]butanethioic S-acid Traditional Name: 2-benzyl-2-[[4-(4-vinylbenzyl)oxybenzyl]thio]thiobutyric acid Formula: C27H28O2S2 MolecularWeight: 448.64002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)(C(=O)S)SCC2=CC=C(C=C2)OCC3=CC=C(C=C3)C=C

Isomeric SMILES

CCC(CC1=CC=CC=C1)(C(=O)S)SCC2=CC=C(C=C2)OCC3=CC=C(C=C3)C=C

InChI

InChI=1S/C27H28O2S2/c1-3-21-10-12-23(13-11-21)19-29-25-16-14-24(15-17-25)20-31-27(4-2,26(28)30)18-22-8-6-5-7-9-22/h3,5-17H,1,4,18-20H2,2H3,(H,28,30)