iso-A 2E

cas: 220175-03-1 — see every product listed under this CAS number, including other names

iso-A 2E (CAS 220175-03-1) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: TRC.

brandTRC
catalog numberTRC-A173443-10MG
cas220175-03-1
size10mg
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Structural formula: {0} (CAS {1})

2-[2-[(1Z,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]ethanol (CAS 220175-03-1) is a chemical compound with the molecular formula C42H58NO+ and a molecular weight of 592.9 g/mol. IUPAC name: 2-[2-[(1Z,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]ethanol. InChIKey: WPWFMRDPTDEJJA-HYQJUSHRSA-N.

Identity
Molecular formulaC42H58NO+
Molecular weight592.9 g/mol
IUPAC name2-[2-[(1Z,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]ethanol
InChIKeyWPWFMRDPTDEJJA-HYQJUSHRSA-N
SMILESCC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C2=CC(=[N+](C=C2)CCO)/C=C(/C)\C=C\C=C(/C)\C=C\C3=C(CCCC3(C)C)C)/C

Computed by PubChem (NCBI)

Synonyms: iso-A 2E, isoA2E; isoA2-E;, iso-A2E(13-cis), N-Retinylidene-N-iso-retinylethanolamine
Related forms of this compound
2-[2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]ethanol C42H58NO+