trisodium 4-oxidanylidene-2-[2-oxidanylidene-2-(4-sulfonatophenyl)ethyl]-4-(4-sulfonatophenyl)butanoate

Systemtic Name: trisodium 4-oxidanylidene-2-[2-oxidanylidene-2-(4-sulfonatophenyl)ethyl]-4-(4-sulfonatophenyl)butanoate Openeye Name: trisodium 4-oxo-2-[2-oxo-2-(4-sulfonatophenyl)ethyl]-4-(4-sulfonatophenyl)butanoate CAS Name: trisodium 4-oxo-2-[2-oxo-2-(4-sulfonatophenyl)ethyl]-4-(4-sulfonatophenyl)butanoate IUPAC Name: trisodium 4-oxo-2-[2-oxo-2-(4-sulfonatophenyl)ethyl]-4-(4-sulfonatophenyl)butanoate Traditional Name: trisodium 4-keto-2-[2-keto-2-(4-sulfonatophenyl)ethyl]-4-(4-sulfonatophenyl)butyrate Formula: C18H13Na3O10S2 MolecularWeight: 522.38913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(CC(=O)C2=CC=C(C=C2)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC(CC(=O)C2=CC=C(C=C2)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H16O10S2.3Na/c19-16(11-1-5-14(6-2-11)29(23,24)25)9-13(18(21)22)10-17(20)12-3-7-15(8-4-12)30(26,27)28;;;/h1-8,13H,9-10H2,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3