6,8-bis[[4-[(E)-2-phenylethenyl]phenyl]methylsulfanyl]octanoic acid

Systemtic Name: 6,8-bis[[4-[(E)-2-phenylethenyl]phenyl]methylsulfanyl]octanoic acid Openeye Name: 6,8-bis[[4-[(E)-styryl]phenyl]methylsulfanyl]octanoic acid CAS Name: 6,8-bis[[4-[(E)-2-phenylethenyl]phenyl]methylthio]octanoic acid IUPAC Name: 6,8-bis[[4-[(E)-2-phenylethenyl]phenyl]methylsulfanyl]octanoic acid Traditional Name: 6,8-bis[[4-[(E)-styryl]benzyl]thio]caprylic acid Formula: C38H40O2S2 MolecularWeight: 592.853

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=CC=C(C=C2)CSCCC(CCCCC(=O)O)SCC3=CC=C(C=C3)C=CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)CSCCC(CCCCC(=O)O)SCC3=CC=C(C=C3)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C38H40O2S2/c39-38(40)14-8-7-13-37(42-30-36-25-21-34(22-26-36)18-16-32-11-5-2-6-12-32)27-28-41-29-35-23-19-33(20-24-35)17-15-31-9-3-1-4-10-31/h1-6,9-12,15-26,37H,7-8,13-14,27-30H2,(H,39,40)/b17-15+,18-16+