2-(octadecylamino)-4-oxidanyl-benzenesulfonic acid

Systemtic Name: 2-(octadecylamino)-4-oxidanyl-benzenesulfonic acid Openeye Name: 4-hydroxy-2-(octadecylamino)benzenesulfonic acid CAS Name: 4-hydroxy-2-(octadecylamino)benzenesulfonic acid IUPAC Name: 4-hydroxy-2-(octadecylamino)benzenesulfonic acid Traditional Name: 4-hydroxy-2-(stearylamino)besylic acid Formula: C24H43NO4S MolecularWeight: 441.66752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=C(C=CC(=C1)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=C(C=CC(=C1)O)S(=O)(=O)O

InChI

InChI=1S/C24H43NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-23-21-22(26)18-19-24(23)30(27,28)29/h18-19,21,25-26H,2-17,20H2,1H3,(H,27,28,29)