phenylmethanol; [phenyl-(4-phenylphenyl)methyl] 3-chloranyl-3-oxidanylidene-propanoate

Systemtic Name: phenylmethanol; [phenyl-(4-phenylphenyl)methyl] 3-chloranyl-3-oxidanylidene-propanoate Openeye Name: phenylmethanol; [phenyl-(4-phenylphenyl)methyl] 3-chloro-3-oxo-propanoate CAS Name: 3-chloro-3-oxopropanoic acid [phenyl-(4-phenylphenyl)methyl] ester; phenylmethanol IUPAC Name: phenylmethanol; [phenyl-(4-phenylphenyl)methyl] 3-chloro-3-oxopropanoate Traditional Name: 3-chloro-3-keto-propionic acid [phenyl-(4-phenylphenyl)methyl] ester; phenylmethanol Formula: C29H25ClO4 MolecularWeight: 472.9594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CO.C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)OC(=O)CC(=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CO.C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)OC(=O)CC(=O)Cl

InChI

InChI=1S/C22H17ClO3.C7H8O/c23-20(24)15-21(25)26-22(18-9-5-2-6-10-18)19-13-11-17(12-14-19)16-7-3-1-4-8-16;8-6-7-4-2-1-3-5-7/h1-14,22H,15H2;1-5,8H,6H2