4-[5-(4-heptoxyphenyl)-1,3-thiazol-2-yl]benzoic acid

Systemtic Name: 4-[5-(4-heptoxyphenyl)-1,3-thiazol-2-yl]benzoic acid Openeye Name: 4-[5-(4-heptoxyphenyl)thiazol-2-yl]benzoic acid CAS Name: 4-[5-(4-heptoxyphenyl)-2-thiazolyl]benzoic acid IUPAC Name: 4-[5-(4-heptoxyphenyl)-1,3-thiazol-2-yl]benzoic acid Traditional Name: 4-[5-(4-heptoxyphenyl)thiazol-2-yl]benzoic acid Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H25NO3S/c1-2-3-4-5-6-15-27-20-13-11-17(12-14-20)21-16-24-22(28-21)18-7-9-19(10-8-18)23(25)26/h7-14,16H,2-6,15H2,1H3,(H,25,26)