O-[2-butyl-4-(5-butyl-2-methyl-4-pentadecanethioyloxy-phenyl)sulfanyl-5-methyl-phenyl] pentadecanethioate

Systemtic Name: O-[2-butyl-4-(5-butyl-2-methyl-4-pentadecanethioyloxy-phenyl)sulfanyl-5-methyl-phenyl] pentadecanethioate Openeye Name: O-[2-butyl-4-(5-butyl-2-methyl-4-pentadecanethioyloxy-phenyl)sulfanyl-5-methyl-phenyl] pentadecanethioate CAS Name: pentadecanethioic acid O-[2-butyl-4-[[5-butyl-2-methyl-4-(1-sulfanylidenepentadecoxy)phenyl]thio]-5-methylphenyl] ester IUPAC Name: O-[2-butyl-4-(5-butyl-2-methyl-4-pentadecanethioyloxyphenyl)sulfanyl-5-methylphenyl] pentadecanethioate Traditional Name: pentadecanethioic acid O-[2-butyl-4-[(5-butyl-2-methyl-4-pentadecanethioyloxy-phenyl)thio]-5-methyl-phenyl] ester Formula: C52H86O2S3 MolecularWeight: 839.43304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=S)OC1=C(C=C(C(=C1)C)SC2=CC(=C(C=C2C)OC(=S)CCCCCCCCCCCCCC)CCCC)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCC(=S)OC1=C(C=C(C(=C1)C)SC2=CC(=C(C=C2C)OC(=S)CCCCCCCCCCCCCC)CCCC)CCCC

InChI

InChI=1S/C52H86O2S3/c1-7-11-15-17-19-21-23-25-27-29-31-33-37-51(55)53-47-39-43(5)49(41-45(47)35-13-9-3)57-50-42-46(36-14-10-4)48(40-44(50)6)54-52(56)38-34-32-30-28-26-24-22-20-18-16-12-8-2/h39-42H,7-38H2,1-6H3