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CHEBI:63783 - (R)-1-isopropyl-3,3,5-trimethyl-6-succinylindane

ChEBI IDCHEBI:63783
ChEBI Name(R)-1-isopropyl-3,3,5-trimethyl-6-succinylindane
Stars
ASCII Name(R)-1-isopropyl-3,3,5-trimethyl-6-succinylindane
DefinitionAn indane derivative in which the indane skeleton is substituted by geminal methyl groups at C-1, by a single methyl group at C-6, by an isopropyl group at C-3 and by a 3-carboxypropanoyl group at C-6.
Last Modified31 January 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILESCc1cc2c(cc1C(=O)CCC(=O)O)[C@@H](C(C)C)CC2(C)C
InChIInChI=1S/C19H26O3/c1-11(2)15-10-19(4,5)16-8-12(3)13(9-14(15)16)17(20)6-7-18(21)22/h8-9,11,15H,6-7,10H2,1-5H3,(H,21,22)/t15-/m1/s1
InChIKeyIFOMWRGNIWRMKJ-OAHLLOKOSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(R)-1-isopropyl-3,3,5-trimethyl-6-succinylindane (CHEBI:63783) is a 4-oxo monocarboxylic acid (CHEBI:35950)
(R)-1-isopropyl-3,3,5-trimethyl-6-succinylindane (CHEBI:63783) is a indanes (CHEBI:46940)
IUPAC Name 
4-oxo-4-[(3R)-1,1,6-trimethyl-3-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]butanoic acid
Citations