sodium 7-oxidanyl-6-[4-(prop-2-enoylamino)butoxy]naphthalene-2-sulfonate

Systemtic Name: sodium 7-oxidanyl-6-[4-(prop-2-enoylamino)butoxy]naphthalene-2-sulfonate Openeye Name: sodium 7-hydroxy-6-[4-(prop-2-enoylamino)butoxy]naphthalene-2-sulfonate CAS Name: sodium 7-hydroxy-6-[4-(1-oxoprop-2-enylamino)butoxy]-2-naphthalenesulfonate IUPAC Name: sodium 7-hydroxy-6-[4-(prop-2-enoylamino)butoxy]naphthalene-2-sulfonate Traditional Name: sodium 6-(4-acrylamidobutoxy)-7-hydroxy-naphthalene-2-sulfonate Formula: C17H18NNaO6S MolecularWeight: 387.38269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=C(C=C2C=C(C=CC2=C1)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

C=CC(=O)NCCCCOC1=C(C=C2C=C(C=CC2=C1)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C17H19NO6S.Na/c1-2-17(20)18-7-3-4-8-24-16-11-12-5-6-14(25(21,22)23)9-13(12)10-15(16)19;/h2,5-6,9-11,19H,1,3-4,7-8H2,(H,18,20)(H,21,22,23);/q;+1/p-1