3-(chloromethyl)-2-[3-(hydroxymethyl)-4-methyl-phenyl]thiochromen-4-one

Systemtic Name: 3-(chloromethyl)-2-[3-(hydroxymethyl)-4-methyl-phenyl]thiochromen-4-one Openeye Name: 3-(chloromethyl)-2-[3-(hydroxymethyl)-4-methyl-phenyl]thiochromen-4-one CAS Name: 3-(chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]-1-benzothiopyran-4-one IUPAC Name: 3-(chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one Traditional Name: 3-(chloromethyl)-2-(4-methyl-3-methylol-phenyl)thiochromen-4-one Formula: C18H15ClO2S MolecularWeight: 330.8285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3S2)CCl)CO

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3S2)CCl)CO

InChI

InChI=1S/C18H15ClO2S/c1-11-6-7-12(8-13(11)10-20)18-15(9-19)17(21)14-4-2-3-5-16(14)22-18/h2-8,20H,9-10H2,1H3