5-(3,5-ditert-butyl-4-oxidanyl-phenyl)thiepane-4-carboxylate

Systemtic Name: 5-(3,5-ditert-butyl-4-oxidanyl-phenyl)thiepane-4-carboxylate Openeye Name: 5-(3,5-ditert-butyl-4-hydroxy-phenyl)thiepane-4-carboxylate CAS Name: 5-(3,5-ditert-butyl-4-hydroxyphenyl)-4-thiepanecarboxylate IUPAC Name: 5-(3,5-ditert-butyl-4-hydroxyphenyl)thiepane-4-carboxylate Traditional Name: 5-(3,5-ditert-butyl-4-hydroxy-phenyl)thiepane-4-carboxylate Formula: C21H31O3S- MolecularWeight: 363.53404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2CCSCCC2C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2CCSCCC2C(=O)[O-]

InChI

InChI=1S/C21H32O3S/c1-20(2,3)16-11-13(12-17(18(16)22)21(4,5)6)14-7-9-25-10-8-15(14)19(23)24/h11-12,14-15,22H,7-10H2,1-6H3,(H,23,24)/p-1