6-butyl-3,6-diethyl-cyclohexa-2,4-diene-1-carbothioic S-acid

Systemtic Name: 6-butyl-3,6-diethyl-cyclohexa-2,4-diene-1-carbothioic S-acid Openeye Name: 6-butyl-3,6-diethyl-cyclohexa-2,4-diene-1-carbothioic S-acid CAS Name: 6-butyl-3,6-diethyl-1-cyclohexa-2,4-dienecarbothioic S-acid IUPAC Name: 6-butyl-3,6-diethylcyclohexa-2,4-diene-1-carbothioic S-acid Traditional Name: 6-butyl-3,6-diethyl-cyclohexa-2,4-diene-1-carbothioic S-acid Formula: C15H24OS MolecularWeight: 252.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=CC(=CC1C(=O)S)CC)CC

Isomeric SMILES

CCCCC1(C=CC(=CC1C(=O)S)CC)CC

InChI

InChI=1S/C15H24OS/c1-4-7-9-15(6-3)10-8-12(5-2)11-13(15)14(16)17/h8,10-11,13H,4-7,9H2,1-3H3,(H,16,17)