2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(triphenylmethyl)sulfanyl-propanoic acid; N-ethylethanamine

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(triphenylmethyl)sulfanyl-propanoic acid; N-ethylethanamine Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-3-tritylsulfanyl-propanoic acid; N-ethylethanamine CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-[(triphenylmethyl)thio]propanoic acid; N-ethylethanamine IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-tritylsulfanylpropanoic acid; N-ethylethanamine Traditional Name: diethylamine; 2-phthalimido-3-(tritylthio)propionic acid Formula: C34H34N2O4S MolecularWeight: 566.70976

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCNCC.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C30H23NO4S.C4H11N/c32-27-24-18-10-11-19-25(24)28(33)31(27)26(29(34)35)20-36-30(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23;1-3-5-4-2/h1-19,26H,20H2,(H,34,35);5H,3-4H2,1-2H3