4-(2-fluoranylundecoxy)-2-(2-heptoxyphenyl)benzenecarbothioic S-acid

Systemtic Name: 4-(2-fluoranylundecoxy)-2-(2-heptoxyphenyl)benzenecarbothioic S-acid Openeye Name: 4-(2-fluoroundecoxy)-2-(2-heptoxyphenyl)benzenecarbothioic S-acid CAS Name: 4-(2-fluoroundecoxy)-2-(2-heptoxyphenyl)benzenecarbothioic S-acid IUPAC Name: 4-(2-fluoroundecoxy)-2-(2-heptoxyphenyl)benzenecarbothioic S-acid Traditional Name: 4-(2-fluoroundecoxy)-2-(2-heptoxyphenyl)thiobenzoic acid Formula: C31H45FO3S MolecularWeight: 516.750603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(COC1=CC(=C(C=C1)C(=O)S)C2=CC=CC=C2OCCCCCCC)F

Isomeric SMILES

CCCCCCCCCC(COC1=CC(=C(C=C1)C(=O)S)C2=CC=CC=C2OCCCCCCC)F

InChI

InChI=1S/C31H45FO3S/c1-3-5-7-9-10-11-13-17-25(32)24-35-26-20-21-28(31(33)36)29(23-26)27-18-14-15-19-30(27)34-22-16-12-8-6-4-2/h14-15,18-21,23,25H,3-13,16-17,22,24H2,1-2H3,(H,33,36)