5,6-dimethoxy-3-phenylmethoxy-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5,6-dimethoxy-3-phenylmethoxy-1-benzothiophene-2-carboxylic acid Openeye Name: 3-benzyloxy-5,6-dimethoxy-benzothiophene-2-carboxylic acid CAS Name: 5,6-dimethoxy-3-phenylmethoxy-1-benzothiophene-2-carboxylic acid IUPAC Name: 5,6-dimethoxy-3-phenylmethoxy-1-benzothiophene-2-carboxylic acid Traditional Name: 3-benzoxy-5,6-dimethoxy-benzothiophene-2-carboxylic acid Formula: C18H16O5S MolecularWeight: 344.38164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(S2)C(=O)O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(S2)C(=O)O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C18H16O5S/c1-21-13-8-12-15(9-14(13)22-2)24-17(18(19)20)16(12)23-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,20)