trisodium 6-[4-(prop-2-enoylamino)butoxy]-5-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate

Systemtic Name: trisodium 6-[4-(prop-2-enoylamino)butoxy]-5-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate Openeye Name: trisodium 6-[4-(prop-2-enoylamino)butoxy]-5-[(4-sulfo-1-naphthyl)azo]naphthalene-2-sulfonate CAS Name: trisodium 6-[4-(1-oxoprop-2-enylamino)butoxy]-5-[(4-sulfo-1-naphthalenyl)azo]-2-naphthalenesulfonate IUPAC Name: trisodium 6-[4-(prop-2-enoylamino)butoxy]-5-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate Traditional Name: trisodium 6-(4-acrylamidobutoxy)-5-[(4-sulfo-1-naphthyl)azo]naphthalene-2-sulfonate Formula: C27H24N3Na3O8S2+2 MolecularWeight: 651.59407

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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(C4=CC=CC=C43)S(=O)(=O)O.[Na+].[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(C4=CC=CC=C43)S(=O)(=O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C27H25N3O8S2.3Na/c1-2-26(31)28-15-5-6-16-38-24-13-9-18-17-19(39(32,33)34)10-11-20(18)27(24)30-29-23-12-14-25(40(35,36)37)22-8-4-3-7-21(22)23;;;/h2-4,7-14,17H,1,5-6,15-16H2,(H,28,31)(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-1