disodium 5-oxidanyl-4-[4-(prop-2-enoylamino)butoxy]benzene-1,3-disulfonate

Systemtic Name: disodium 5-oxidanyl-4-[4-(prop-2-enoylamino)butoxy]benzene-1,3-disulfonate Openeye Name: disodium 5-hydroxy-4-[4-(prop-2-enoylamino)butoxy]benzene-1,3-disulfonate CAS Name: disodium 5-hydroxy-4-[4-(1-oxoprop-2-enylamino)butoxy]benzene-1,3-disulfonate IUPAC Name: disodium 5-hydroxy-4-[4-(prop-2-enoylamino)butoxy]benzene-1,3-disulfonate Traditional Name: disodium 4-(4-acrylamidobutoxy)-5-hydroxy-benzene-1,3-disulfonate Formula: C13H15NNa2O9S2 MolecularWeight: 439.36904

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=C(C=C(C=C1O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C=CC(=O)NCCCCOC1=C(C=C(C=C1O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H17NO9S2.2Na/c1-2-12(16)14-5-3-4-6-23-13-10(15)7-9(24(17,18)19)8-11(13)25(20,21)22;;/h2,7-8,15H,1,3-6H2,(H,14,16)(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2