3-butyl-3-ethyl-5-(4-iodophenyl)-1,1-bis(oxidanylidene)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol

Systemtic Name: 3-butyl-3-ethyl-5-(4-iodophenyl)-1,1-bis(oxidanylidene)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Openeye Name: 3-butyl-3-ethyl-5-(4-iodophenyl)-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol CAS Name: 3-butyl-3-ethyl-5-(4-iodophenyl)-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol IUPAC Name: 3-butyl-3-ethyl-5-(4-iodophenyl)-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Traditional Name: 3-butyl-3-ethyl-5-(4-iodophenyl)-1,1-diketo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Formula: C22H27IO3S MolecularWeight: 498.41745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27IO3S/c1-3-5-14-22(4-2)15-27(25,26)19-9-7-6-8-18(19)20(21(22)24)16-10-12-17(23)13-11-16/h6-13,20-21,24H,3-5,14-15H2,1-2H3