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

Systemtic Name: 4-dodecylbenzenesulfonic acid; methyl N-(1H-benzimidazol-2-yl)carbamate Openeye Name: 4-dodecylbenzenesulfonic acid; methyl N-(1H-benzimidazol-2-yl)carbamate CAS Name: N-(1H-benzimidazol-2-yl)carbamic acid methyl ester; 4-dodecylbenzenesulfonic acid IUPAC Name: 4-dodecylbenzenesulfonic acid; methyl N-(1H-benzimidazol-2-yl)carbamate Traditional Name: N-(1H-benzimidazol-2-yl)carbamic acid methyl ester; 4-laurylbesylic acid Formula: C27H39N3O5S MolecularWeight: 517.68066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O3S.C9H9N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h13-16H,2-12H2,1H3,(H,19,20,21);2-5H,1H3,(H2,10,11,12,13)