butan-1-amine; 2-dodecylbenzenesulfonic acid

Systemtic Name: butan-1-amine; 2-dodecylbenzenesulfonic acid Openeye Name: butan-1-amine; 2-dodecylbenzenesulfonic acid CAS Name: 1-butanamine; 2-dodecylbenzenesulfonic acid IUPAC Name: butan-1-amine; 2-dodecylbenzenesulfonic acid Traditional Name: butylamine; 2-laurylbesylic acid Formula: C22H41NO3S MolecularWeight: 399.63084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCN

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCN

InChI

InChI=1S/C18H30O3S.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-2-3-4-5/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);2-5H2,1H3