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

Systemtic Name: 5-oxidanyl-4-[4-(prop-2-enoylamino)butoxy]benzene-1,3-disulfonic acid Openeye Name: 5-hydroxy-4-[4-(prop-2-enoylamino)butoxy]benzene-1,3-disulfonic acid CAS Name: 5-hydroxy-4-[4-(1-oxoprop-2-enylamino)butoxy]benzene-1,3-disulfonic acid IUPAC Name: 5-hydroxy-4-[4-(prop-2-enoylamino)butoxy]benzene-1,3-disulfonic acid Traditional Name: 4-(4-acrylamidobutoxy)-5-hydroxy-benzene-1,3-disulfonic acid Formula: C13H17NO9S2 MolecularWeight: 395.40538

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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

Isomeric SMILES

C=CC(=O)NCCCCOC1=C(C=C(C=C1O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H17NO9S2/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)