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CHEBI:63787 - (S,S)-trans-2-ethyl-1-isopropyl-3,3,5-trimethyl-6-succinylindane

ChEBI IDCHEBI:63787
ChEBI Name(S,S)-trans-2-ethyl-1-isopropyl-3,3,5-trimethyl-6-succinylindane
Stars
ASCII Name(S,S)-trans-2-ethyl-1-isopropyl-3,3,5-trimethyl-6-succinylindane
DefinitionAn indane derivative in which the indane skeleton is substituted by an ethyl group at C-2, 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
FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILESCC[C@H]1[C@H](C(C)C)c2cc(C(=O)CCC(=O)O)c(C)cc2C1(C)C
InChIInChI=1S/C21H30O3/c1-7-16-20(12(2)3)15-11-14(18(22)8-9-19(23)24)13(4)10-17(15)21(16,5)6/h10-12,16,20H,7-9H2,1-6H3,(H,23,24)/t16-,20+/m0/s1
InChIKeyZNQKOOLQBLAKFY-OXJNMPFZSA-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)
(S,S)-trans-2-ethyl-1-isopropyl-3,3,5-trimethyl-6-succinylindane (CHEBI:63787) is a 4-oxo monocarboxylic acid (CHEBI:35950)
(S,S)-trans-2-ethyl-1-isopropyl-3,3,5-trimethyl-6-succinylindane (CHEBI:63787) is a indanes (CHEBI:46940)
Citations