(2S,10S)-15-benzyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene4-methylbenzenesulfonate

(2S,10S)-15-benzyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;4-methylbenzenesulfonate

CAS: 53758-10-4

Molecular Formula	`C28H31NO3S`
Molecular Weight	461.6 g/mol
Topological Polar Surface Area	70.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	461.20245
Heavy Atoms	33
Complexity	592.0

Chemical Identifiers

CAS Number	53758-10-4
SMILES	`CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC2C3CC4=CC=CC=C4C3CC1[NH+]2CC5=CC=CC=C5`
InChIKey	`HJFVHGATLHKQHB-RTOWUWACSA-N`

📖 Product Overview

(2S,10S)-15-benzyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene4-methylbenzenesulfonate (CAS: 53758-10-4) is a chemical compound with molecular formula C28H31NO3S and molecular weight 461.6 g/mol. Its IUPAC systematic name is (2S,10S)-15-benzyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene;4-methylbenzenesulfonate. Topological Polar Surface Area 70.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 461.20245 Heavy Atoms 33 Complexity 592.0 InChI Key: HJFVHGATLHKQHB-RTOWUWACSA-N. SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC2C3CC4=CC=CC=C4C3CC1[NH+]2CC5=CC=CC=C5.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (2S,10S)-15-benzyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-triene4-methylbenzenesulfonate.

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