3-(5-carboxy-2-propoxy-phenyl)sulfanyl-4-propoxy-benzoic acid

Systemtic Name: 3-(5-carboxy-2-propoxy-phenyl)sulfanyl-4-propoxy-benzoic acid Openeye Name: 3-(5-carboxy-2-propoxy-phenyl)sulfanyl-4-propoxy-benzoic acid CAS Name: 3-[(5-carboxy-2-propoxyphenyl)thio]-4-propoxybenzoic acid IUPAC Name: 3-(5-carboxy-2-propoxyphenyl)sulfanyl-4-propoxybenzoic acid Traditional Name: 3-[(5-carboxy-2-propoxy-phenyl)thio]-4-propoxy-benzoic acid Formula: C20H22O6S MolecularWeight: 390.45008

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)O)SC2=C(C=CC(=C2)C(=O)O)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)O)SC2=C(C=CC(=C2)C(=O)O)OCCC

InChI

InChI=1S/C20H22O6S/c1-3-9-25-15-7-5-13(19(21)22)11-17(15)27-18-12-14(20(23)24)6-8-16(18)26-10-4-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,22)(H,23,24)