6-[2-(hydroxymethyl)-4-methyl-phenyl]-3-methanoyl-2-methoxy-benzenecarbothioic S-acid

Systemtic Name: 6-[2-(hydroxymethyl)-4-methyl-phenyl]-3-methanoyl-2-methoxy-benzenecarbothioic S-acid Openeye Name: 3-formyl-6-[2-(hydroxymethyl)-4-methyl-phenyl]-2-methoxy-benzenecarbothioic S-acid CAS Name: 3-formyl-6-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenecarbothioic S-acid IUPAC Name: 3-formyl-6-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenecarbothioic S-acid Traditional Name: 3-formyl-2-methoxy-6-(4-methyl-2-methylol-phenyl)thiobenzoic acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C(=C(C=C2)C=O)OC)C(=O)S)CO

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C(=C(C=C2)C=O)OC)C(=O)S)CO

InChI

InChI=1S/C17H16O4S/c1-10-3-5-13(12(7-10)9-19)14-6-4-11(8-18)16(21-2)15(14)17(20)22/h3-8,19H,9H2,1-2H3,(H,20,22)