4-[[2-(3-aminophenyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid

Molecular Formula: C25H25NO5S


InChI: InChI=1/C25H25NO5S/c26-20-3-1-2-19(12-20)25-30-21(15-32-22-10-8-18(9-11-22)24(28)29)13-23(31-25)17-6-4-16(14-27)5-7-17/h1-12,21,23,25,27H,13-15,26H2,(H,28,29)/f/h28H

InChIKey: InChIKey=PFXCXEMKHLNIBP-LBOYIXSDCC
SMILES: C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)N)CSC4=CC=C(C=C4)C(=O)O

Names:
    4-[[2-(3-aminophenyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid

Registries:
    PubChem CID 4086061
    PubChem ID 6003500