Compound C27H29ClN2O6S2

5-chlorosulfonyl-2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzenesulfonate

CAS: 62796-29-6

Molecular Formula	`C27H29ClN2O6S2`
Molecular Weight	577.1 g/mol
LogP	3.5
Topological Polar Surface Area	124.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	576.11554
Heavy Atoms	38
Complexity	1170.0

Chemical Identifiers

CAS Number	62796-29-6
SMILES	`CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)Cl)S(=O)(=O)[O-]`
InChIKey	`YERWMQJEYUIJBO-UHFFFAOYSA-N`

📖 Product Overview

Compound C27H29ClN2O6S2 (CAS: 62796-29-6) is a chemical compound with molecular formula C27H29ClN2O6S2 and molecular weight 577.1 g/mol. Its IUPAC systematic name is 5-chlorosulfonyl-2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzenesulfonate. LogP 3.5 Topological Polar Surface Area 124.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 7 Rotatable Bonds 7 Exact Mass 576.11554 Heavy Atoms 38 Complexity 1170.0 InChI Key: YERWMQJEYUIJBO-UHFFFAOYSA-N. SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)Cl)S(=O)(=O)[O-].

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