3-tert-butyl-5,6-dihydrobenzo[b][1]benzothiepine-7,9-diol

Systemtic Name: 3-tert-butyl-5,6-dihydrobenzo[b][1]benzothiepine-7,9-diol Openeye Name: 3-tert-butyl-5,6-dihydrobenzo[b][1]benzothiepine-7,9-diol CAS Name: 3-tert-butyl-5,6-dihydrobenzo[b][1]benzothiepin-7,9-diol IUPAC Name: 3-tert-butyl-5,6-dihydrobenzo[b][1]benzothiepine-7,9-diol Traditional Name: 3-tert-butyl-5,6-dihydrobenzo[b][1]benzothiepin-7,9-diol Formula: C18H20O2S MolecularWeight: 300.4152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)SC3=CC(=CC(=C3CC2)O)O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)SC3=CC(=CC(=C3CC2)O)O

InChI

InChI=1S/C18H20O2S/c1-18(2,3)12-5-7-16-11(8-12)4-6-14-15(20)9-13(19)10-17(14)21-16/h5,7-10,19-20H,4,6H2,1-3H3