2-dodecylbenzenesulfonic acid; pentan-1-amine

Systemtic Name: 2-dodecylbenzenesulfonic acid; pentan-1-amine Openeye Name: 2-dodecylbenzenesulfonic acid; pentan-1-amine CAS Name: 2-dodecylbenzenesulfonic acid; 1-pentanamine IUPAC Name: 2-dodecylbenzenesulfonic acid; pentan-1-amine Traditional Name: amylamine; 2-laurylbesylic acid Formula: C23H43NO3S MolecularWeight: 413.65742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O3S.C5H13N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-2-3-4-5-6/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);2-6H2,1H3