3-azanyl-4-(octadecylamino)benzenesulfonic acid

Systemtic Name: 3-azanyl-4-(octadecylamino)benzenesulfonic acid Openeye Name: 3-amino-4-(octadecylamino)benzenesulfonic acid CAS Name: 3-amino-4-(octadecylamino)benzenesulfonic acid IUPAC Name: 3-amino-4-(octadecylamino)benzenesulfonic acid Traditional Name: 3-amino-4-(stearylamino)besylic acid Formula: C24H44N2O3S MolecularWeight: 440.68276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H44N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-24-19-18-22(21-23(24)25)30(27,28)29/h18-19,21,26H,2-17,20,25H2,1H3,(H,27,28,29)