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

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Catalog Number
ACM63937542
Product Name
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
Category
Heterocyclic Organic Compound
Synonyms
CID45487, LS-85918, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-(alpha-METHYL-4-NITRO), 63937-54-2, Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(alpha-methyl-4-nitro)phenethyl-, hydrogen sulfosalicylate
IUPAC Name
3-carboxy-4-hydroxybenzenesulfonate; 6,7-dimethoxy-2-methyl-1-[1-(4-nitrophenyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium
Molecular Weight
588.626 g/mol
Molecular Formula
C28H32N2O10S
Canonical 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
InChI Key
JEPRBUKYZNSROP-UHFFFAOYSA-N
Boiling Point
501.9ºC at 760 mmHg
Flash Point
257.3ºC
Exact Mass
588.17800
H-Bond Acceptor
10
H-Bond Donor
3
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