disodium 7-[4-(prop-2-enoylamino)butoxy]naphthalene-1,3-disulfonate

Systemtic Name: disodium 7-[4-(prop-2-enoylamino)butoxy]naphthalene-1,3-disulfonate Openeye Name: disodium 7-[4-(prop-2-enoylamino)butoxy]naphthalene-1,3-disulfonate CAS Name: disodium 7-[4-(1-oxoprop-2-enylamino)butoxy]naphthalene-1,3-disulfonate IUPAC Name: disodium 7-[4-(prop-2-enoylamino)butoxy]naphthalene-1,3-disulfonate Traditional Name: disodium 7-(4-acrylamidobutoxy)naphthalene-1,3-disulfonate Formula: C17H17NNa2O8S2 MolecularWeight: 473.42832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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