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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=CC=CC=C2C(C1O)(C3=CC=CC=C3)O)CC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=CC=CC=C2C(C1O)(C3=CC=CC=C3)O)CC

InChI

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