PubChem11621261

Molecular Formula: C₂₅H₂₇NO₆S

InChI: InChI=1/C21H23NO2S.C4H4O4/c1-22(2)14-6-9-20-19-8-5-4-7-16(19)10-11-17-12-13-18(15-21(17)20)25(3,23)24;5-3(6)1-2-4(7)8/h4-5,7-13,15H,6,14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b20-9+;2-1-/fC21H24NO2S.C4H3O4/h22H;5H/q+1;-1

InChIKey: InChIKey=LITKJMVBZITJGJ-QXNKVQPMDN
SMILES: C[NH+](C)CCC=C1C2=CC=CC=C2C=CC3=C1C=C(C=C3)S(=O)(=O)C.C(=CC(=O)[O-])C(=O)O

Names:
    PubChem11621261

Registries:
    PubChem CID 6434976
    PubChem ID 11621261