3-[[4-(octadecylamino)-4-oxidanylidene-butyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[4-(octadecylamino)-4-oxidanylidene-butyl]amino]propane-1-sulfonic acid Openeye Name: 3-[[4-(octadecylamino)-4-oxo-butyl]amino]propane-1-sulfonic acid CAS Name: 3-[[4-(octadecylamino)-4-oxobutyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[4-(octadecylamino)-4-oxobutyl]amino]propane-1-sulfonic acid Traditional Name: 3-[[4-keto-4-(stearylamino)butyl]amino]propane-1-sulfonic acid Formula: C25H52N2O4S MolecularWeight: 476.75638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CCCNCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CCCNCCCS(=O)(=O)O

InChI

InChI=1S/C25H52N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-27-25(28)20-18-21-26-22-19-24-32(29,30)31/h26H,2-24H2,1H3,(H,27,28)(H,29,30,31)