1-(3-methoxy-4-oxidanyl-phenyl)nonan-2-ylcarbamothioic S-acid

Systemtic Name: 1-(3-methoxy-4-oxidanyl-phenyl)nonan-2-ylcarbamothioic S-acid Openeye Name: 1-[(4-hydroxy-3-methoxy-phenyl)methyl]octylcarbamothioic S-acid CAS Name: 1-(4-hydroxy-3-methoxyphenyl)nonan-2-ylcarbamothioic S-acid IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)nonan-2-ylcarbamothioic S-acid Traditional Name: 1-vanillyloctylthiocarbamic S-acid Formula: C17H27NO3S MolecularWeight: 325.46618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC1=CC(=C(C=C1)O)OC)NC(=O)S

Isomeric SMILES

CCCCCCCC(CC1=CC(=C(C=C1)O)OC)NC(=O)S

InChI

InChI=1S/C17H27NO3S/c1-3-4-5-6-7-8-14(18-17(20)22)11-13-9-10-15(19)16(12-13)21-2/h9-10,12,14,19H,3-8,11H2,1-2H3,(H2,18,20,22)