S-phenyl 4a-(hydroxymethyl)-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbothioate

Systemtic Name: S-phenyl 4a-(hydroxymethyl)-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbothioate Openeye Name: S-phenyl 4a-(hydroxymethyl)-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbothioate CAS Name: 4a-(hydroxymethyl)-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbothioic acid S-phenyl ester IUPAC Name: S-phenyl 4a-(hydroxymethyl)-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbothioate Traditional Name: 4a-methylol-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carbothioic acid S-phenyl ester Formula: C18H22O2S MolecularWeight: 302.43108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CCC(C=C2C1)C(=O)SC3=CC=CC=C3)CO

Isomeric SMILES

C1CCC2(CCC(C=C2C1)C(=O)SC3=CC=CC=C3)CO

InChI

InChI=1S/C18H22O2S/c19-13-18-10-5-4-6-15(18)12-14(9-11-18)17(20)21-16-7-2-1-3-8-16/h1-3,7-8,12,14,19H,4-6,9-11,13H2