dodecyl benzenesulfonate; 1-piperazin-1-ylethanamine

Systemtic Name: dodecyl benzenesulfonate; 1-piperazin-1-ylethanamine Openeye Name: dodecyl benzenesulfonate; 1-piperazin-1-ylethanamine CAS Name: benzenesulfonic acid dodecyl ester; 1-(1-piperazinyl)ethanamine IUPAC Name: dodecyl benzenesulfonate; 1-piperazin-1-ylethanamine Traditional Name: benzenesulfonic acid lauryl ester; 1-piperazinoethylamine Formula: C24H45N3O3S MolecularWeight: 455.6974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1.CC(N)N1CCNCC1

Isomeric SMILES

CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1.CC(N)N1CCNCC1

InChI

InChI=1S/C18H30O3S.C6H15N3/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18;1-6(7)9-4-2-8-3-5-9/h11-13,15-16H,2-10,14,17H2,1H3;6,8H,2-5,7H2,1H3