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4-(octadecylcarbamoylamino)benzenesulfonic acid

4-(octadecylcarbamoylamino)benzenesulfonic acid

Systemtic Name:4-(octadecylcarbamoylamino)benzenesulfonic acid
Openeye Name:4-(octadecylcarbamoylamino)benzenesulfonic acid
CAS Name:4-[[(octadecylamino)-oxomethyl]amino]benzenesulfonic acid
IUPAC Name:4-(octadecylcarbamoylamino)benzenesulfonic acid
Traditional Name:4-(stearylcarbamoylamino)besylic acid
Formula: C25H44N2O4S
MolecularWeight: 468.69286
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)O


InChI

InChI=1S/C25H44N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-25(28)27-23-18-20-24(21-19-23)32(29,30)31/h18-21H,2-17,22H2,1H3,(H2,26,27,28)(H,29,30,31)


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