2-Naphthalenesulfonic acid, compd. with [R-(R*,S*)]-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate (1:1), monohydrate
CAS Registry Number®
55557-30-7
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CAS Name
2-Naphthalenesulfonic acid, compd. with [R-(R*,S*)]-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate (1:1), monohydrateMolecular Formula
C22H29NO2.C10H8O3S.H2OCite this Page
2-Naphthalenesulfonic acid, compd. with [R-(R*,S*)]-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate (1:1), monohydrate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=55557-30-7 (retrieved ) (CAS RN: 55557-30-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H29NO2.C10H8O3S.H2O/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13);1H2/t18-,22+;;/m0../s1
InChIKey
InChIKey=GBKONKCASNNUQD-ATVRCVQASA-N
SMILES
[C@](CC1=CC=CC=C1)([C@H](CN(C)C)C)(OC(CC)=O)C2=CC=CC=C2.S(=O)(=O)(O)C1=CC2=C(C=C1)C=CC=C2.O
Canonical SMILES
O=C(OC(C=1C=CC=CC1)(CC=2C=CC=CC2)C(C)CN(C)C)CC.O=S(=O)(O)C=1C=CC=2C=CC=CC2C1.O
Other Names for this Substance
- 2-Naphthalenesulfonic acid, compd. with [R-(R*,S*)]-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate (1:1), monohydrate
- Benzeneethanol, α-[2-(dimethylamino)-1-methylethyl]-α-phenyl-, propanoate (ester), [R-(R*,S*)]-, 2-naphthalenesulfonate (salt), monohydrate
Deleted or Replaced CAS Registry Numbers
5667-69-6, 7247-77-0
