2-[2-oxidanylidene-1-sulfo-2-(2,2,2-triphenylethoxy)ethyl]butanedioic acid

Systemtic Name: 2-[2-oxidanylidene-1-sulfo-2-(2,2,2-triphenylethoxy)ethyl]butanedioic acid Openeye Name: 2-[2-oxo-1-sulfo-2-(2,2,2-triphenylethoxy)ethyl]butanedioic acid CAS Name: 2-[2-oxo-1-sulfo-2-(2,2,2-triphenylethoxy)ethyl]butanedioic acid IUPAC Name: 2-[2-oxo-1-sulfo-2-(2,2,2-triphenylethoxy)ethyl]butanedioic acid Traditional Name: 2-[2-keto-1-sulfo-2-(2,2,2-triphenylethoxy)ethyl]succinic acid Formula: C26H24O9S MolecularWeight: 512.52836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(COC(=O)C(C(CC(=O)O)C(=O)O)S(=O)(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(COC(=O)C(C(CC(=O)O)C(=O)O)S(=O)(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H24O9S/c27-22(28)16-21(24(29)30)23(36(32,33)34)25(31)35-17-26(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,23H,16-17H2,(H,27,28)(H,29,30)(H,32,33,34)