3-[[2-(4-dodecylphenyl)sulfonyloxy-5-oxidanyl-phenyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[2-(4-dodecylphenyl)sulfonyloxy-5-oxidanyl-phenyl]amino]propane-1-sulfonic acid Openeye Name: 3-[2-(4-dodecylphenyl)sulfonyloxy-5-hydroxy-anilino]propane-1-sulfonic acid CAS Name: 3-[2-(4-dodecylphenyl)sulfonyloxy-5-hydroxyanilino]-1-propanesulfonic acid IUPAC Name: 3-[2-(4-dodecylphenyl)sulfonyloxy-5-hydroxyanilino]propane-1-sulfonic acid Traditional Name: 3-[5-hydroxy-2-(4-laurylphenyl)sulfonyloxy-anilino]propane-1-sulfonic acid Formula: C27H41NO7S2 MolecularWeight: 555.74694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)O)NCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)O)NCCCS(=O)(=O)O

InChI

InChI=1S/C27H41NO7S2/c1-2-3-4-5-6-7-8-9-10-11-13-23-14-17-25(18-15-23)37(33,34)35-27-19-16-24(29)22-26(27)28-20-12-21-36(30,31)32/h14-19,22,28-29H,2-13,20-21H2,1H3,(H,30,31,32)