4-[4-(prop-2-enoylamino)butoxy]benzenesulfonic acid

Systemtic Name: 4-[4-(prop-2-enoylamino)butoxy]benzenesulfonic acid Openeye Name: 4-[4-(prop-2-enoylamino)butoxy]benzenesulfonic acid CAS Name: 4-[4-(1-oxoprop-2-enylamino)butoxy]benzenesulfonic acid IUPAC Name: 4-[4-(prop-2-enoylamino)butoxy]benzenesulfonic acid Traditional Name: 4-(4-acrylamidobutoxy)besylic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C=CC(=O)NCCCCOC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H17NO5S/c1-2-13(15)14-9-3-4-10-19-11-5-7-12(8-6-11)20(16,17)18/h2,5-8H,1,3-4,9-10H2,(H,14,15)(H,16,17,18)