disodium 6-[4-(prop-2-enoylamino)butoxy]-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonate

Systemtic Name: disodium 6-[4-(prop-2-enoylamino)butoxy]-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonate Openeye Name: disodium 6-[4-(prop-2-enoylamino)butoxy]-5-(4-sulfophenyl)azo-naphthalene-2-sulfonate CAS Name: disodium 6-[4-(1-oxoprop-2-enylamino)butoxy]-5-(4-sulfophenyl)azo-2-naphthalenesulfonate IUPAC Name: disodium 6-[4-(prop-2-enoylamino)butoxy]-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonate Traditional Name: disodium 6-(4-acrylamidobutoxy)-5-(4-sulfophenyl)azo-naphthalene-2-sulfonate Formula: C23H22N3Na2O8S2+ MolecularWeight: 578.54562

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=C(C2=C(C=C1)C=C(C=C2)S(=O)(=O)[O-])N=NC3=CC=C(C=C3)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C=CC(=O)NCCCCOC1=C(C2=C(C=C1)C=C(C=C2)S(=O)(=O)[O-])N=NC3=CC=C(C=C3)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C23H23N3O8S2.2Na/c1-2-22(27)24-13-3-4-14-34-21-12-5-16-15-19(36(31,32)33)10-11-20(16)23(21)26-25-17-6-8-18(9-7-17)35(28,29)30;;/h2,5-12,15H,1,3-4,13-14H2,(H,24,27)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-1