[1-(4-carboxysulfanylcarbonyloxypentadec-2-ynyl)-1H-inden-4-yl]oxycarbonylsulfanylmethanoic acid

Systemtic Name: [1-(4-carboxysulfanylcarbonyloxypentadec-2-ynyl)-1H-inden-4-yl]oxycarbonylsulfanylmethanoic acid Openeye Name: [1-(4-carboxysulfanylcarbonyloxypentadec-2-ynyl)-1H-inden-4-yl]oxycarbonylsulfanylformic acid CAS Name: [[[1-[4-[(carboxythio)-oxomethoxy]pentadec-2-ynyl]-1H-inden-4-yl]oxy-oxomethyl]thio]formic acid IUPAC Name: [1-(4-carboxysulfanylcarbonyloxypentadec-2-ynyl)-1H-inden-4-yl]oxycarbonylsulfanylformic acid Traditional Name: [[1-[4-(carboxythio)carbonyloxypentadec-2-ynyl]-1H-inden-4-yl]oxycarbonylthio]formic acid Formula: C28H34O8S2 MolecularWeight: 562.69476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C#CCC1C=CC2=C1C=CC=C2OC(=O)SC(=O)O)OC(=O)SC(=O)O

Isomeric SMILES

CCCCCCCCCCCC(C#CCC1C=CC2=C1C=CC=C2OC(=O)SC(=O)O)OC(=O)SC(=O)O

InChI

InChI=1S/C28H34O8S2/c1-2-3-4-5-6-7-8-9-10-14-21(35-27(33)37-25(29)30)15-11-13-20-18-19-23-22(20)16-12-17-24(23)36-28(34)38-26(31)32/h12,16-21H,2-10,13-14H2,1H3,(H,29,30)(H,31,32)