2-[4-(prop-2-enoylamino)butoxy]-5-sulfo-benzoic acid

Systemtic Name: 2-[4-(prop-2-enoylamino)butoxy]-5-sulfo-benzoic acid Openeye Name: 2-[4-(prop-2-enoylamino)butoxy]-5-sulfo-benzoic acid CAS Name: 2-[4-(1-oxoprop-2-enylamino)butoxy]-5-sulfobenzoic acid IUPAC Name: 2-[4-(prop-2-enoylamino)butoxy]-5-sulfobenzoic acid Traditional Name: 2-(4-acrylamidobutoxy)-5-sulfo-benzoic acid Formula: C14H17NO7S MolecularWeight: 343.35228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO7S/c1-2-13(16)15-7-3-4-8-22-12-6-5-10(23(19,20)21)9-11(12)14(17)18/h2,5-6,9H,1,3-4,7-8H2,(H,15,16)(H,17,18)(H,19,20,21)