disodium 2-[4-(prop-2-enoylamino)butoxy]-5-sulfo-benzoate

Systemtic Name: disodium 2-[4-(prop-2-enoylamino)butoxy]-5-sulfo-benzoate Openeye Name: disodium 2-[4-(prop-2-enoylamino)butoxy]-5-sulfo-benzoate CAS Name: disodium 2-[4-(1-oxoprop-2-enylamino)butoxy]-5-sulfobenzoate IUPAC Name: disodium 2-[4-(prop-2-enoylamino)butoxy]-5-sulfobenzoate Traditional Name: disodium 2-(4-acrylamidobutoxy)-5-sulfo-benzoate Formula: C14H16NNa2O7S+ MolecularWeight: 388.32388

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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-].[Na+].[Na+]

Isomeric SMILES

C=CC(=O)NCCCCOC1=C(C=C(C=C1)S(=O)(=O)O)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H17NO7S.2Na/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);;/q;2*+1/p-1