3-butyl-3-ethyl-5-(4-hydroxyphenyl)-7-methoxy-1,1-bis(oxidanylidene)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol

Systemtic Name: 3-butyl-3-ethyl-5-(4-hydroxyphenyl)-7-methoxy-1,1-bis(oxidanylidene)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Openeye Name: 3-butyl-3-ethyl-5-(4-hydroxyphenyl)-7-methoxy-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol CAS Name: 3-butyl-3-ethyl-5-(4-hydroxyphenyl)-7-methoxy-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol IUPAC Name: 3-butyl-3-ethyl-5-(4-hydroxyphenyl)-7-methoxy-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Traditional Name: 3-butyl-3-ethyl-5-(4-hydroxyphenyl)-1,1-diketo-7-methoxy-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Formula: C23H30O5S MolecularWeight: 418.5463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30O5S/c1-4-6-13-23(5-2)15-29(26,27)20-12-11-18(28-3)14-19(20)21(22(23)25)16-7-9-17(24)10-8-16/h7-12,14,21-22,24-25H,4-6,13,15H2,1-3H3