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6-(1,2-dimethyl-6-sulfo-inden-1-yl)hexanoic acid

6-(1,2-dimethyl-6-sulfo-inden-1-yl)hexanoic acid

Systemtic Name:6-(1,2-dimethyl-6-sulfo-inden-1-yl)hexanoic acid
Openeye Name:6-(1,2-dimethyl-6-sulfo-inden-1-yl)hexanoic acid
CAS Name:6-(1,2-dimethyl-6-sulfo-1-indenyl)hexanoic acid
IUPAC Name:6-(1,2-dimethyl-6-sulfoinden-1-yl)hexanoic acid
Traditional Name:6-(1,2-dimethyl-6-sulfo-inden-1-yl)hexanoic acid
Formula: C17H22O5S
MolecularWeight: 338.41858
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C1(C)CCCCCC(=O)O)C=C(C=C2)S(=O)(=O)O


Isomeric SMILES

CC1=CC2=C(C1(C)CCCCCC(=O)O)C=C(C=C2)S(=O)(=O)O


InChI

InChI=1S/C17H22O5S/c1-12-10-13-7-8-14(23(20,21)22)11-15(13)17(12,2)9-5-3-4-6-16(18)19/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,19)(H,20,21,22)


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