butan-1-amine; 4-dodecylbenzenesulfonic acid

Systemtic Name: butan-1-amine; 4-dodecylbenzenesulfonic acid Openeye Name: butan-1-amine; 4-dodecylbenzenesulfonic acid CAS Name: 1-butanamine; 4-dodecylbenzenesulfonic acid IUPAC Name: butan-1-amine; 4-dodecylbenzenesulfonic acid Traditional Name: butylamine; 4-laurylbesylic acid Formula: C22H41NO3S MolecularWeight: 399.63084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CCCCN

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CCCCN

InChI

InChI=1S/C18H30O3S.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;1-2-3-4-5/h13-16H,2-12H2,1H3,(H,19,20,21);2-5H2,1H3