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4-butoxy-2-[(5-butoxy-2-carboxy-phenyl)disulfanyl]benzoic acid

4-butoxy-2-[(5-butoxy-2-carboxy-phenyl)disulfanyl]benzoic acid

Systemtic Name:4-butoxy-2-[(5-butoxy-2-carboxy-phenyl)disulfanyl]benzoic acid
Openeye Name:4-butoxy-2-[(5-butoxy-2-carboxy-phenyl)disulfanyl]benzoic acid
CAS Name:4-butoxy-2-[(5-butoxy-2-carboxyphenyl)disulfanyl]benzoic acid
IUPAC Name:4-butoxy-2-[(5-butoxy-2-carboxyphenyl)disulfanyl]benzoic acid
Traditional Name:4-butoxy-2-[(5-butoxy-2-carboxy-phenyl)disulfanyl]benzoic acid
Formula: C22H26O6S2
MolecularWeight: 450.56824
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C(=O)O)SSC2=C(C=CC(=C2)OCCCC)C(=O)O


Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C(=O)O)SSC2=C(C=CC(=C2)OCCCC)C(=O)O


InChI

InChI=1S/C22H26O6S2/c1-3-5-11-27-15-7-9-17(21(23)24)19(13-15)29-30-20-14-16(28-12-6-4-2)8-10-18(20)22(25)26/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,24)(H,25,26)


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