2-[4-[(E)-5-chloranylpent-4-en-2-ynoxy]-3-oxidanyl-phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxy-phenol

Systemtic Name: 2-[4-[(E)-5-chloranylpent-4-en-2-ynoxy]-3-oxidanyl-phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxy-phenol Openeye Name: 2-[4-[(E)-5-chloropent-4-en-2-ynoxy]-3-hydroxy-phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxy-phenol CAS Name: 2-[4-[(E)-5-chloropent-4-en-2-ynoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol IUPAC Name: 2-[4-[(E)-5-chloropent-4-en-2-ynoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol Traditional Name: 2-[4-[(E)-5-chloropent-4-en-2-ynoxy]-3-hydroxy-phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxy-phenol Formula: C25H21ClO6 MolecularWeight: 452.88364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC(=C(C=C3)OCC#CC=CCl)O

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC(=C(C=C3)OCC#C/C=C/Cl)O

InChI

InChI=1S/C25H21ClO6/c1-30-22-15-19(16-6-9-18(27)10-7-16)25(31-2)24(29)23(22)17-8-11-21(20(28)14-17)32-13-5-3-4-12-26/h4,6-12,14-15,27-29H,13H2,1-2H3/b12-4+