6-[1,2-dimethyl-3-(3-sulfopropyl)-6-(trioxidanylsulfanyl)inden-1-yl]hexanoic acid

Systemtic Name: 6-[1,2-dimethyl-3-(3-sulfopropyl)-6-(trioxidanylsulfanyl)inden-1-yl]hexanoic acid Openeye Name: 6-[1,2-dimethyl-3-(3-sulfopropyl)-6-(trioxidanylsulfanyl)inden-1-yl]hexanoic acid CAS Name: 6-[1,2-dimethyl-3-(3-sulfopropyl)-6-(trioxidanylthio)-1-indenyl]hexanoic acid IUPAC Name: 6-[1,2-dimethyl-3-(3-sulfopropyl)-6-(trioxidanylsulfanyl)inden-1-yl]hexanoic acid Traditional Name: 6-[1,2-dimethyl-3-(3-sulfopropyl)-6-(trioxidanylthio)inden-1-yl]hexanoic acid Formula: C20H28O8S2 MolecularWeight: 460.56152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1(C)CCCCCC(=O)O)C=C(C=C2)SOOO)CCCS(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C1(C)CCCCCC(=O)O)C=C(C=C2)SOOO)CCCS(=O)(=O)O

InChI

InChI=1S/C20H28O8S2/c1-14-16(7-6-12-30(24,25)26)17-10-9-15(29-28-27-23)13-18(17)20(14,2)11-5-3-4-8-19(21)22/h9-10,13,23H,3-8,11-12H2,1-2H3,(H,21,22)(H,24,25,26)