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

Systemtic Name: ditridecyl 2-[(3-sulfanylidene-1,2,4-thiadiazol-5-yl)sulfanyl]butanedioate Openeye Name: ditridecyl 2-[(3-thioxo-1,2,4-thiadiazol-5-yl)sulfanyl]butanedioate CAS Name: 2-[(3-sulfanylidene-1,2,4-thiadiazol-5-yl)thio]butanedioic acid ditridecyl ester IUPAC Name: ditridecyl 2-[(3-sulfanylidene-1,2,4-thiadiazol-5-yl)sulfanyl]butanedioate Traditional Name: 2-[(3-thioxo-1,2,4-thiadiazol-5-yl)thio]succinic acid ditridecyl ester Formula: C32H58N2O4S3 MolecularWeight: 631.00892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCC)SC1=NC(=S)NS1

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCC)SC1=NC(=S)NS1

InChI

InChI=1S/C32H58N2O4S3/c1-3-5-7-9-11-13-15-17-19-21-23-25-37-29(35)27-28(40-32-33-31(39)34-41-32)30(36)38-26-24-22-20-18-16-14-12-10-8-6-4-2/h28H,3-27H2,1-2H3,(H,34,39)