S-(3-tert-butyl-5-methanoyl-4-oxidanyl-phenyl) benzenecarbothioate

Systemtic Name: S-(3-tert-butyl-5-methanoyl-4-oxidanyl-phenyl) benzenecarbothioate Openeye Name: S-(3-tert-butyl-5-formyl-4-hydroxy-phenyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(3-tert-butyl-5-formyl-4-hydroxyphenyl) ester IUPAC Name: S-(3-tert-butyl-5-formyl-4-hydroxyphenyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(3-tert-butyl-5-formyl-4-hydroxy-phenyl) ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)SC(=O)C2=CC=CC=C2)C=O)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)SC(=O)C2=CC=CC=C2)C=O)O

InChI

InChI=1S/C18H18O3S/c1-18(2,3)15-10-14(9-13(11-19)16(15)20)22-17(21)12-7-5-4-6-8-12/h4-11,20H,1-3H3