2,5-bis(chloranyl)-1,4-bis(3-phenylmethoxyprop-1-ynyl)cyclohexa-2,5-diene-1,4-diol

Systemtic Name: 2,5-bis(chloranyl)-1,4-bis(3-phenylmethoxyprop-1-ynyl)cyclohexa-2,5-diene-1,4-diol Openeye Name: 1,4-bis(3-benzyloxyprop-1-ynyl)-2,5-dichloro-cyclohexa-2,5-diene-1,4-diol CAS Name: 2,5-dichloro-1,4-bis(3-phenylmethoxyprop-1-ynyl)cyclohexa-2,5-diene-1,4-diol IUPAC Name: 2,5-dichloro-1,4-bis(3-phenylmethoxyprop-1-ynyl)cyclohexa-2,5-diene-1,4-diol Traditional Name: 1,4-bis(3-benzoxyprop-1-ynyl)-2,5-dichloro-cyclohexa-2,5-diene-1,4-diol Formula: C26H22Cl2O4 MolecularWeight: 469.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC#CC2(C=C(C(C=C2Cl)(C#CCOCC3=CC=CC=C3)O)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)COCC#CC2(C=C(C(C=C2Cl)(C#CCOCC3=CC=CC=C3)O)Cl)O

InChI

InChI=1S/C26H22Cl2O4/c27-23-18-26(30,14-8-16-32-20-22-11-5-2-6-12-22)24(28)17-25(23,29)13-7-15-31-19-21-9-3-1-4-10-21/h1-6,9-12,17-18,29-30H,15-16,19-20H2