sodium 4-[[2-[4-(prop-2-enoylamino)butoxy]naphthalen-1-yl]diazenyl]benzenesulfonate

Systemtic Name: sodium 4-[[2-[4-(prop-2-enoylamino)butoxy]naphthalen-1-yl]diazenyl]benzenesulfonate Openeye Name: sodium 4-[[2-[4-(prop-2-enoylamino)butoxy]-1-naphthyl]azo]benzenesulfonate CAS Name: sodium 4-[[2-[4-(1-oxoprop-2-enylamino)butoxy]-1-naphthalenyl]azo]benzenesulfonate IUPAC Name: sodium 4-[[2-[4-(prop-2-enoylamino)butoxy]naphthalen-1-yl]diazenyl]benzenesulfonate Traditional Name: sodium 4-[[2-(4-acrylamidobutoxy)-1-naphthyl]azo]besylate Formula: C23H22N3NaO5S MolecularWeight: 475.49265

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=C(C2=CC=CC=C2C=C1)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C=CC(=O)NCCCCOC1=C(C2=CC=CC=C2C=C1)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C23H23N3O5S.Na/c1-2-22(27)24-15-5-6-16-31-21-14-9-17-7-3-4-8-20(17)23(21)26-25-18-10-12-19(13-11-18)32(28,29)30;/h2-4,7-14H,1,5-6,15-16H2,(H,24,27)(H,28,29,30);/q;+1/p-1