3-butyl-3-ethyl-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepine-4,8-diol

Systemtic Name: 3-butyl-3-ethyl-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepine-4,8-diol Openeye Name: 3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepine-4,8-diol CAS Name: 3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4,8-diol IUPAC Name: 3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepine-4,8-diol Traditional Name: 3-butyl-3-ethyl-1,1-diketo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4,8-diol Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=C(C=CC(=C2)O)C(C1O)C3=CC=CC=C3)CC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=CC(=C2)O)C(C1O)C3=CC=CC=C3)CC

InChI

InChI=1S/C22H28O4S/c1-3-5-13-22(4-2)15-27(25,26)19-14-17(23)11-12-18(19)20(21(22)24)16-9-7-6-8-10-16/h6-12,14,20-21,23-24H,3-5,13,15H2,1-2H3