3-azanyl-3-heptadecyl-pentane-1,5-diol; propane-1-sulfonic acid

Systemtic Name: 3-azanyl-3-heptadecyl-pentane-1,5-diol; propane-1-sulfonic acid Openeye Name: 3-amino-3-heptadecyl-pentane-1,5-diol; propane-1-sulfonic acid CAS Name: 3-amino-3-heptadecylpentane-1,5-diol; 1-propanesulfonic acid IUPAC Name: 3-amino-3-heptadecylpentane-1,5-diol; propane-1-sulfonic acid Traditional Name: 3-amino-3-heptadecyl-pentane-1,5-diol; propane-1-sulfonic acid Formula: C25H55NO5S MolecularWeight: 481.7729

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCO)(CCO)N.CCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCO)(CCO)N.CCCS(=O)(=O)O

InChI

InChI=1S/C22H47NO2.C3H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(23,18-20-24)19-21-25;1-2-3-7(4,5)6/h24-25H,2-21,23H2,1H3;2-3H2,1H3,(H,4,5,6)