2-azanylethanesulfonic acid; 2-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid

Systemtic Name: 2-azanylethanesulfonic acid; 2-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-aminoethanesulfonic acid; 2-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxo-ethyl]butanedioic acid CAS Name: 2-aminoethanesulfonic acid; 2-[2-[bis(2-diphenylphosphinoethyl)amino]-2-oxoethyl]butanedioic acid IUPAC Name: 2-aminoethanesulfonic acid; 2-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]butanedioic acid Traditional Name: 2-aminoethanesulfonic acid; 2-[2-[bis(2-diphenylphosphinoethyl)amino]-2-keto-ethyl]succinic acid Formula: C36H42N2O8P2S MolecularWeight: 724.739802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(CCN(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC(CC(=O)O)C(=O)O)C4=CC=CC=C4.C(CS(=O)(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)P(CCN(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC(CC(=O)O)C(=O)O)C4=CC=CC=C4.C(CS(=O)(=O)O)N

InChI

InChI=1S/C34H35NO5P2.C2H7NO3S/c36-32(25-27(34(39)40)26-33(37)38)35(21-23-41(28-13-5-1-6-14-28)29-15-7-2-8-16-29)22-24-42(30-17-9-3-10-18-30)31-19-11-4-12-20-31;3-1-2-7(4,5)6/h1-20,27H,21-26H2,(H,37,38)(H,39,40);1-3H2,(H,4,5,6)