3-[(2-hexadecylsulfonyloxy-5-oxidanyl-phenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(2-hexadecylsulfonyloxy-5-oxidanyl-phenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(2-hexadecylsulfonyloxy-5-hydroxy-anilino)propane-1-sulfonic acid CAS Name: 3-(2-hexadecylsulfonyloxy-5-hydroxyanilino)-1-propanesulfonic acid IUPAC Name: 3-(2-hexadecylsulfonyloxy-5-hydroxyanilino)propane-1-sulfonic acid Traditional Name: 3-(2-cetylsulfonyloxy-5-hydroxy-anilino)propane-1-sulfonic acid Formula: C25H45NO7S2 MolecularWeight: 535.7573

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)OC1=C(C=C(C=C1)O)NCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)OC1=C(C=C(C=C1)O)NCCCS(=O)(=O)O

InChI

InChI=1S/C25H45NO7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-35(31,32)33-25-18-17-23(27)22-24(25)26-19-16-20-34(28,29)30/h17-18,22,26-27H,2-16,19-21H2,1H3,(H,28,29,30)