3-[[2-[2-(dodecylamino)-2-oxidanylidene-ethoxy]-5-oxidanyl-phenyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[2-[2-(dodecylamino)-2-oxidanylidene-ethoxy]-5-oxidanyl-phenyl]amino]propane-1-sulfonic acid Openeye Name: 3-[2-[2-(dodecylamino)-2-oxo-ethoxy]-5-hydroxy-anilino]propane-1-sulfonic acid CAS Name: 3-[2-[2-(dodecylamino)-2-oxoethoxy]-5-hydroxyanilino]-1-propanesulfonic acid IUPAC Name: 3-[2-[2-(dodecylamino)-2-oxoethoxy]-5-hydroxyanilino]propane-1-sulfonic acid Traditional Name: 3-[5-hydroxy-2-[2-keto-2-(laurylamino)ethoxy]anilino]propane-1-sulfonic acid Formula: C23H40N2O6S MolecularWeight: 472.6385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)COC1=C(C=C(C=C1)O)NCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)COC1=C(C=C(C=C1)O)NCCCS(=O)(=O)O

InChI

InChI=1S/C23H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-15-25-23(27)19-31-22-14-13-20(26)18-21(22)24-16-12-17-32(28,29)30/h13-14,18,24,26H,2-12,15-17,19H2,1H3,(H,25,27)(H,28,29,30)