dihexadecyl 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioate

Systemtic Name: dihexadecyl 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioate Openeye Name: dihexadecyl 2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioate CAS Name: 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid dihexadecyl ester IUPAC Name: dihexadecyl 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioate Traditional Name: 2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)thio]succinic acid dicetyl ester Formula: C38H70N2O4S3 MolecularWeight: 715.1684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCC)SC1=NNC(=S)S1

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCC)SC1=NNC(=S)S1

InChI

InChI=1S/C38H70N2O4S3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43-35(41)33-34(46-38-40-39-37(45)47-38)36(42)44-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34H,3-33H2,1-2H3,(H,39,45)