2-dodecylbenzenesulfonic acid; propan-2-yl carbamimidate

Systemtic Name: 2-dodecylbenzenesulfonic acid; propan-2-yl carbamimidate Openeye Name: 2-dodecylbenzenesulfonic acid; 2-isopropylisourea CAS Name: carbamimidic acid propan-2-yl ester; 2-dodecylbenzenesulfonic acid IUPAC Name: 2-dodecylbenzenesulfonic acid; propan-2-yl carbamimidate Traditional Name: 2-isopropylisourea; 2-laurylbesylic acid Formula: C22H40N2O4S MolecularWeight: 428.629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CC(C)OC(=N)N

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CC(C)OC(=N)N

InChI

InChI=1S/C18H30O3S.C4H10N2O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-3(2)7-4(5)6/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);3H,1-2H3,(H3,5,6)