Compound C22H27NO4S

hydrogen sulfate;1-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)piperidin-1-ium

CAS: 67195-18-0

Molecular Formula	`C22H27NO4S`
Molecular Weight	401.5 g/mol
Topological Polar Surface Area	90.3 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	401.16608
Heavy Atoms	28
Complexity	476.0

Chemical Identifiers

CAS Number	67195-18-0
SMILES	`C[NH+]1CCCC(C1)C=C2C3=CC=CC=C3CCC4=CC=CC=C42.OS(=O)(=O)[O-]`
InChIKey	`GHVVJXZGCWZNTK-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H27NO4S (CAS: 67195-18-0) is a chemical compound with molecular formula C22H27NO4S and molecular weight 401.5 g/mol. Its IUPAC systematic name is hydrogen sulfate;1-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)piperidin-1-ium. Topological Polar Surface Area 90.3 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 1 Exact Mass 401.16608 Heavy Atoms 28 Complexity 476.0 InChI Key: GHVVJXZGCWZNTK-UHFFFAOYSA-N. SMILES: C[NH+]1CCCC(C1)C=C2C3=CC=CC=C3CCC4=CC=CC=C42.OS(=O)(=O)[O-].

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