6-chloranyl-3-(hydroxymethyl)-4-phenyl-isochromen-1-one

Systemtic Name: 6-chloranyl-3-(hydroxymethyl)-4-phenyl-isochromen-1-one Openeye Name: 6-chloro-3-(hydroxymethyl)-4-phenyl-isochromen-1-one CAS Name: 6-chloro-3-(hydroxymethyl)-4-phenyl-2-benzopyran-1-one IUPAC Name: 6-chloro-3-(hydroxymethyl)-4-phenylisochromen-1-one Traditional Name: 6-chloro-3-methylol-4-phenyl-isocoumarin Formula: C16H11ClO3 MolecularWeight: 286.70974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=O)C3=C2C=C(C=C3)Cl)CO

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=O)C3=C2C=C(C=C3)Cl)CO

InChI

InChI=1S/C16H11ClO3/c17-11-6-7-12-13(8-11)15(10-4-2-1-3-5-10)14(9-18)20-16(12)19/h1-8,18H,9H2