4-(2-fluoranyldecoxy)-2-(2-octylphenyl)benzenecarbothioic S-acid

Systemtic Name: 4-(2-fluoranyldecoxy)-2-(2-octylphenyl)benzenecarbothioic S-acid Openeye Name: 4-(2-fluorodecoxy)-2-(2-octylphenyl)benzenecarbothioic S-acid CAS Name: 4-(2-fluorodecoxy)-2-(2-octylphenyl)benzenecarbothioic S-acid IUPAC Name: 4-(2-fluorodecoxy)-2-(2-octylphenyl)benzenecarbothioic S-acid Traditional Name: 4-(2-fluorodecoxy)-2-(2-octylphenyl)thiobenzoic acid Formula: C31H45FO2S MolecularWeight: 500.751203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1C2=C(C=CC(=C2)OCC(CCCCCCCC)F)C(=O)S

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1C2=C(C=CC(=C2)OCC(CCCCCCCC)F)C(=O)S

InChI

InChI=1S/C31H45FO2S/c1-3-5-7-9-11-13-17-25-18-15-16-20-28(25)30-23-27(21-22-29(30)31(33)35)34-24-26(32)19-14-12-10-8-6-4-2/h15-16,18,20-23,26H,3-14,17,19,24H2,1-2H3,(H,33,35)