4-(octadecanoylamino)benzenesulfonic acid

Systemtic Name: 4-(octadecanoylamino)benzenesulfonic acid Openeye Name: 4-(octadecanoylamino)benzenesulfonic acid CAS Name: 4-(1-oxooctadecylamino)benzenesulfonic acid IUPAC Name: 4-(octadecanoylamino)benzenesulfonic acid Traditional Name: 4-stearamidobesylic acid Formula: C24H41NO4S MolecularWeight: 439.65164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)25-22-18-20-23(21-19-22)30(27,28)29/h18-21H,2-17H2,1H3,(H,25,26)(H,27,28,29)