6-[2-(hydroxymethyl)-6-methoxy-4-methyl-phenyl]sulfanyl-3-methanoyl-2-methoxy-benzoic acid

Systemtic Name: 6-[2-(hydroxymethyl)-6-methoxy-4-methyl-phenyl]sulfanyl-3-methanoyl-2-methoxy-benzoic acid Openeye Name: 3-formyl-6-[2-(hydroxymethyl)-6-methoxy-4-methyl-phenyl]sulfanyl-2-methoxy-benzoic acid CAS Name: 3-formyl-6-[[2-(hydroxymethyl)-6-methoxy-4-methylphenyl]thio]-2-methoxybenzoic acid IUPAC Name: 3-formyl-6-[2-(hydroxymethyl)-6-methoxy-4-methylphenyl]sulfanyl-2-methoxybenzoic acid Traditional Name: 3-formyl-2-methoxy-6-[(2-methoxy-4-methyl-6-methylol-phenyl)thio]benzoic acid Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC)SC2=C(C(=C(C=C2)C=O)OC)C(=O)O)CO

Isomeric SMILES

CC1=CC(=C(C(=C1)OC)SC2=C(C(=C(C=C2)C=O)OC)C(=O)O)CO

InChI

InChI=1S/C18H18O6S/c1-10-6-12(9-20)17(13(7-10)23-2)25-14-5-4-11(8-19)16(24-3)15(14)18(21)22/h4-8,20H,9H2,1-3H3,(H,21,22)