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2-(4-propoxyphenyl)sulfanylterephthalic acid

2-(4-propoxyphenyl)sulfanylterephthalic acid

Systemtic Name:2-(4-propoxyphenyl)sulfanylterephthalic acid
Openeye Name:2-(4-propoxyphenyl)sulfanylterephthalic acid
CAS Name:2-[(4-propoxyphenyl)thio]terephthalic acid
IUPAC Name:2-(4-propoxyphenyl)sulfanylterephthalic acid
Traditional Name:2-[(4-propoxyphenyl)thio]terephthalic acid
Formula: C17H16O5S
MolecularWeight: 332.37094
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H16O5S/c1-2-9-22-12-4-6-13(7-5-12)23-15-10-11(16(18)19)3-8-14(15)17(20)21/h3-8,10H,2,9H2,1H3,(H,18,19)(H,20,21)


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