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2,2,5,7-tetramethyl-1-oxidanylidene-3H-indene-4-carboxylic acid hydrate

2,2,5,7-tetramethyl-1-oxidanylidene-3H-indene-4-carboxylic acid hydrate

Systemtic Name:2,2,5,7-tetramethyl-1-oxidanylidene-3H-indene-4-carboxylic acid hydrate
Openeye Name:2,2,5,7-tetramethyl-1-oxo-indane-4-carboxylic acid hydrate
CAS Name:2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carboxylic acid hydrate
IUPAC Name:2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carboxylic acid hydrate
Traditional Name:1-keto-2,2,5,7-tetramethyl-indane-4-carboxylic acid hydrate
Formula: C14H18O4
MolecularWeight: 250.29032
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(C2)(C)C)C(=O)O)C.O


Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)C(C2)(C)C)C(=O)O)C.O


InChI

InChI=1S/C14H16O3.H2O/c1-7-5-8(2)11(13(16)17)9-6-14(3,4)12(15)10(7)9;/h5H,6H2,1-4H3,(H,16,17);1H2


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