Sodium (E)-4-(4-(3-(4-(diethylamino)phenyl)acryloyl)phenoxy)butane-1-sulfonate | SBID = 574 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge:
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C23H38NO5SNa
M / g/mol: 453.53
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, charged
  • Name: Sodium (E)-4-(4-(3-(4-(diethylamino)phenyl)acryloyl)phenoxy)butane-1-sulfonate
  • Preferred Abbreviation: Sodium (E)-4-(4-(3-(4-(diethylamino)phenyl)acryloyl)phenoxy)butane-1-sulfonate
  • IUPAC Name: Sodium (E)-4-(4-(3-(4-(diethylamino)phenyl)acryloyl)phenoxy)butane-1-sulfonate
  • CAS:
  • CID: -137
  • InChiKey: QYACQWXHNUVQCZ-QOVZSLTQSA-M
  • InChi: InChI=1S/C23H29NO5S.Na/c1-3-24(4-2)21-12-7-19(8-13-21)9-16-23(25)20-10-14-22(15-11-20)29-17-5-6-18-30(26,27)28;/h7-16H,3-6,17-18H2,1-2H3,(H,26,27,28);/q;+1/p-1/b16-9+;
  • CanoSmiles: CCN(C1=CC=C(/C=C/C(C2=CC=C(OCCCCS(=O)(O[Na])=O)C=C2)=O)C=C1)CC
  • IsoSmiles: O=S(CCCCOC1=CC=C(C(/C=C/C2=CC=C(N(CC)CC)C=C2)=O)C=C1)([O-])=O.[Na+]