2-dodecylbenzenesulfonic acid; methyl carbamimidate; 1-methylurea

Systemtic Name: 2-dodecylbenzenesulfonic acid; methyl carbamimidate; 1-methylurea Openeye Name: 2-dodecylbenzenesulfonic acid; 2-methylisourea; methylurea CAS Name: carbamimidic acid methyl ester; 2-dodecylbenzenesulfonic acid; methylurea IUPAC Name: 2-dodecylbenzenesulfonic acid; methyl carbamimidate; methylurea Traditional Name: 2-laurylbesylic acid; 2-methylisourea; methylurea Formula: C22H42N4O5S MolecularWeight: 474.65768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CNC(=O)N.COC(=N)N

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CNC(=O)N.COC(=N)N

InChI

InChI=1S/C18H30O3S.2C2H6N2O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-5-2(3)4;1-4-2(3)5/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);1H3,(H3,3,4);1H3,(H3,3,4,5)