4-dodecylbenzenesulfonic acid; ethyl N-(1H-benzimidazol-2-yl)carbamate

Systemtic Name: 4-dodecylbenzenesulfonic acid; ethyl N-(1H-benzimidazol-2-yl)carbamate Openeye Name: 4-dodecylbenzenesulfonic acid; ethyl N-(1H-benzimidazol-2-yl)carbamate CAS Name: N-(1H-benzimidazol-2-yl)carbamic acid ethyl ester; 4-dodecylbenzenesulfonic acid IUPAC Name: 4-dodecylbenzenesulfonic acid; ethyl N-(1H-benzimidazol-2-yl)carbamate Traditional Name: N-(1H-benzimidazol-2-yl)carbamic acid ethyl ester; 4-laurylbesylic acid Formula: C28H41N3O5S MolecularWeight: 531.70724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CCOC(=O)NC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CCOC(=O)NC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C18H30O3S.C10H11N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;1-2-15-10(14)13-9-11-7-5-3-4-6-8(7)12-9/h13-16H,2-12H2,1H3,(H,19,20,21);3-6H,2H2,1H3,(H2,11,12,13,14)