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

Systemtic Name: disodium 4,5-bis[4-(prop-2-enoylamino)butoxy]benzene-1,3-disulfonate Openeye Name: disodium 4,5-bis[4-(prop-2-enoylamino)butoxy]benzene-1,3-disulfonate CAS Name: disodium 4,5-bis[4-(1-oxoprop-2-enylamino)butoxy]benzene-1,3-disulfonate IUPAC Name: disodium 4,5-bis[4-(prop-2-enoylamino)butoxy]benzene-1,3-disulfonate Traditional Name: disodium 4,5-bis(4-acrylamidobutoxy)benzene-1,3-disulfonate Formula: C20H26N2Na2O10S2 MolecularWeight: 564.53738

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=CC(=CC(=C1OCCCCNC(=O)C=C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C=CC(=O)NCCCCOC1=CC(=CC(=C1OCCCCNC(=O)C=C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H28N2O10S2.2Na/c1-3-18(23)21-9-5-7-11-31-16-13-15(33(25,26)27)14-17(34(28,29)30)20(16)32-12-8-6-10-22-19(24)4-2;;/h3-4,13-14H,1-2,5-12H2,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2