2-(aminomethyl)-4-hexyl-3-(hydroxymethyl)benzenecarbothioic S-acid

Systemtic Name: 2-(aminomethyl)-4-hexyl-3-(hydroxymethyl)benzenecarbothioic S-acid Openeye Name: 2-(aminomethyl)-4-hexyl-3-(hydroxymethyl)benzenecarbothioic S-acid CAS Name: 2-(aminomethyl)-4-hexyl-3-(hydroxymethyl)benzenecarbothioic S-acid IUPAC Name: 2-(aminomethyl)-4-hexyl-3-(hydroxymethyl)benzenecarbothioic S-acid Traditional Name: 2-(aminomethyl)-4-hexyl-3-methylol-thiobenzoic acid Formula: C15H23NO2S MolecularWeight: 281.41362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1)C(=O)S)CN)CO

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1)C(=O)S)CN)CO

InChI

InChI=1S/C15H23NO2S/c1-2-3-4-5-6-11-7-8-12(15(18)19)13(9-16)14(11)10-17/h7-8,17H,2-6,9-10,16H2,1H3,(H,18,19)