O-decyl 4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzenecarbothioate

Systemtic Name: O-decyl 4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzenecarbothioate Openeye Name: O-decyl 4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzenecarbothioate CAS Name: 4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzenecarbothioic acid O-decyl ester IUPAC Name: O-decyl 4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]benzenecarbothioate Traditional Name: 4-[2-[4-(3,7-dimethyloctoxy)phenyl]ethynyl]thiobenzoic acid O-decyl ester Formula: C35H50O2S MolecularWeight: 534.8353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=S)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)OCCC(C)CCCC(C)C

Isomeric SMILES

CCCCCCCCCCOC(=S)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)OCCC(C)CCCC(C)C

InChI

InChI=1S/C35H50O2S/c1-5-6-7-8-9-10-11-12-27-37-35(38)33-22-18-31(19-23-33)16-17-32-20-24-34(25-21-32)36-28-26-30(4)15-13-14-29(2)3/h18-25,29-30H,5-15,26-28H2,1-4H3