2-(2-dodecoxyphenyl)-4-(2-fluoranylheptoxy)benzenecarbothioic S-acid

Systemtic Name: 2-(2-dodecoxyphenyl)-4-(2-fluoranylheptoxy)benzenecarbothioic S-acid Openeye Name: 2-(2-dodecoxyphenyl)-4-(2-fluoroheptoxy)benzenecarbothioic S-acid CAS Name: 2-(2-dodecoxyphenyl)-4-(2-fluoroheptoxy)benzenecarbothioic S-acid IUPAC Name: 2-(2-dodecoxyphenyl)-4-(2-fluoroheptoxy)benzenecarbothioic S-acid Traditional Name: 4-(2-fluoroheptoxy)-2-(2-lauryloxyphenyl)thiobenzoic acid Formula: C32H47FO3S MolecularWeight: 530.777183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC=C1C2=C(C=CC(=C2)OCC(CCCCC)F)C(=O)S

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC=C1C2=C(C=CC(=C2)OCC(CCCCC)F)C(=O)S

InChI

InChI=1S/C32H47FO3S/c1-3-5-7-8-9-10-11-12-13-17-23-35-31-20-16-15-19-28(31)30-24-27(21-22-29(30)32(34)37)36-25-26(33)18-14-6-4-2/h15-16,19-22,24,26H,3-14,17-18,23,25H2,1-2H3,(H,34,37)