4-methoxy-3-(2-methylundecan-2-yl)benzenecarbothioic S-acid

Systemtic Name: 4-methoxy-3-(2-methylundecan-2-yl)benzenecarbothioic S-acid Openeye Name: 3-(1,1-dimethyldecyl)-4-methoxy-benzenecarbothioic S-acid CAS Name: 4-methoxy-3-(2-methylundecan-2-yl)benzenecarbothioic S-acid IUPAC Name: 4-methoxy-3-(2-methylundecan-2-yl)benzenecarbothioic S-acid Traditional Name: 3-(1,1-dimethyldecyl)-4-methoxy-thiobenzoic acid Formula: C20H32O2S MolecularWeight: 336.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(C)C1=C(C=CC(=C1)C(=O)S)OC

Isomeric SMILES

CCCCCCCCCC(C)(C)C1=C(C=CC(=C1)C(=O)S)OC

InChI

InChI=1S/C20H32O2S/c1-5-6-7-8-9-10-11-14-20(2,3)17-15-16(19(21)23)12-13-18(17)22-4/h12-13,15H,5-11,14H2,1-4H3,(H,21,23)