Compound C28H32N2O10S

3-carboxy-4-hydroxybenzenesulfonate;6,7-dimethoxy-2-methyl-1-[1-(4-nitrophenyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium

CAS: 63937-54-2

Molecular Formula	`C28H32N2O10S`
Molecular Weight	588.6 g/mol
Topological Polar Surface Area	192.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	6
Exact Mass	588.1778
Heavy Atoms	41
Complexity	791.0

Chemical Identifiers

CAS Number	63937-54-2
SMILES	`CC(CC1=CC=C(C=C1)[N+](=O)[O-])C2C3=CC(=C(C=C3CC[NH+]2C)OC)OC.C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)O)O`
InChIKey	`JEPRBUKYZNSROP-UHFFFAOYSA-N`

📖 Product Overview

Compound C28H32N2O10S (CAS: 63937-54-2) is a chemical compound with molecular formula C28H32N2O10S and molecular weight 588.6 g/mol. Its IUPAC systematic name is 3-carboxy-4-hydroxybenzenesulfonate;6,7-dimethoxy-2-methyl-1-[1-(4-nitrophenyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium. Topological Polar Surface Area 192.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 10 Rotatable Bonds 6 Exact Mass 588.1778 Heavy Atoms 41 Complexity 791.0 InChI Key: JEPRBUKYZNSROP-UHFFFAOYSA-N. SMILES: CC(CC1=CC=C(C=C1)[N+](=O)[O-])C2C3=CC(=C(C=C3CC[NH+]2C)OC)OC.C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)O)O.

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