2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-(triphenylmethyl)sulfanyl-propanoic acid

Systemtic Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-(triphenylmethyl)sulfanyl-propanoic acid Openeye Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-tritylsulfanyl-propanoic acid CAS Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-[(triphenylmethyl)thio]propanoic acid IUPAC Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-tritylsulfanylpropanoic acid Traditional Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-(tritylthio)propionic acid Formula: C34H29NO5S3 MolecularWeight: 627.79276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)NS(=O)(=O)C4=CC5C(C=C4)SC6=CC=CC=C6O5

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)NS(=O)(=O)C4=CC5C(C=C4)SC6=CC=CC=C6O5

InChI

InChI=1S/C34H29NO5S3/c36-33(37)28(35-43(38,39)27-20-21-32-30(22-27)40-29-18-10-11-19-31(29)42-32)23-41-34(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-22,28,30,32,35H,23H2,(H,36,37)