1,2-di(dodecan-3-yl)cyclobutane-1-carbothioic S-acid

Systemtic Name: 1,2-di(dodecan-3-yl)cyclobutane-1-carbothioic S-acid Openeye Name: 1,2-bis(1-ethyldecyl)cyclobutanecarbothioic S-acid CAS Name: 1,2-di(dodecan-3-yl)-1-cyclobutanecarbothioic S-acid IUPAC Name: 1,2-di(dodecan-3-yl)cyclobutane-1-carbothioic S-acid Traditional Name: 1,2-bis(1-ethyldecyl)cyclobutanecarbothioic S-acid Formula: C29H56OS MolecularWeight: 452.81934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC)C1CCC1(C(CC)CCCCCCCCC)C(=O)S

Isomeric SMILES

CCCCCCCCCC(CC)C1CCC1(C(CC)CCCCCCCCC)C(=O)S

InChI

InChI=1S/C29H56OS/c1-5-9-11-13-15-17-19-21-25(7-3)27-23-24-29(27,28(30)31)26(8-4)22-20-18-16-14-12-10-6-2/h25-27H,5-24H2,1-4H3,(H,30,31)