sodium 4-[4-(prop-2-enoylamino)butoxy]naphthalene-2,7-disulfonate

Systemtic Name: sodium 4-[4-(prop-2-enoylamino)butoxy]naphthalene-2,7-disulfonate Openeye Name: sodium 4-[4-(prop-2-enoylamino)butoxy]naphthalene-2,7-disulfonate CAS Name: sodium 4-[4-(1-oxoprop-2-enylamino)butoxy]naphthalene-2,7-disulfonate IUPAC Name: sodium 4-[4-(prop-2-enoylamino)butoxy]naphthalene-2,7-disulfonate Traditional Name: sodium 4-(4-acrylamidobutoxy)naphthalene-2,7-disulfonate Formula: C17H17NNaO8S2- MolecularWeight: 450.43855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO8S2.Na/c1-2-17(19)18-7-3-4-8-26-16-11-14(28(23,24)25)10-12-9-13(27(20,21)22)5-6-15(12)16;/h2,5-6,9-11H,1,3-4,7-8H2,(H,18,19)(H,20,21,22)(H,23,24,25);/q;+1/p-2