2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenyl-but-1-enyl]phenoxy]ethanoic acid hydrate

Systemtic Name: 2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenyl-but-1-enyl]phenoxy]ethanoic acid hydrate Openeye Name: 2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenyl-but-1-enyl]phenoxy]acetic acid hydrate CAS Name: 2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]acetic acid hydrate IUPAC Name: 2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]acetic acid hydrate Traditional Name: 2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenyl-but-1-enyl]phenoxy]acetic acid hydrate Formula: C24H24O5 MolecularWeight: 392.44436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCC(=O)O)C3=CC=CC=C3.O

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)OCC(=O)O)/C3=CC=CC=C3.O

InChI

InChI=1S/C24H22O4.H2O/c1-2-22(17-6-4-3-5-7-17)24(18-8-12-20(25)13-9-18)19-10-14-21(15-11-19)28-16-23(26)27;/h3-15,25H,2,16H2,1H3,(H,26,27);1H2/b24-22+;