About dipotassium;disodium;6H-benzo[c][1]benzoxepin-11-one;4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine;4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoic acid;3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoic acid;3H-2-benzofuran-1-one;ethane;ethyl 4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine-1-carboxylate;ethyl 4-oxopiperidine-1-carboxylate;hydride;methyl 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoate;methyl 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoate;methyl 4-chloro-2,2-dimethylbutanoate;methyl 3-iodo-2,2-dimethylpropanoate;oxido formate;2-(phenoxymethyl)benzoic acid;hydroxide;phenoxide;hydrochloride
dipotassium;disodium;6H-benzo[c][1]benzoxepin-11-one;4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine;4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoic acid;3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoic acid;3H-2-benzofuran-1-one;ethane;ethyl 4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine-1-carboxylate;ethyl 4-oxopiperidine-1-carboxylate;hydride;methyl 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoate;methyl 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoate;methyl 4-chloro-2,2-dimethylbutanoate;methyl 3-iodo-2,2-dimethylpropanoate;oxido formate;2-(phenoxymethyl)benzoic acid;hydroxide;phenoxide;hydrochloride (PubChem CID 158268835) has the molecular formula C207H238Cl2IK2N7Na2O35
and a molecular weight of 3706.18 g/mol. Its IUPAC name is dipotassium;disodium;6H-benzo[c][1]benzoxepin-11-one;4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine;4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoic acid;3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoic acid;3H-2-benzofuran-1-one;ethane;ethyl 4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine-1-carboxylate;ethyl 4-oxopiperidine-1-carboxylate;hydride;methyl 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoate;methyl 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoate;methyl 4-chloro-2,2-dimethylbutanoate;methyl 3-iodo-2,2-dimethylpropanoate;oxido formate;2-(phenoxymethyl)benzoic acid;hydroxide;phenoxide;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of dipotassium;disodium;6H-benzo[c][1]benzoxepin-11-one;4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine;4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoic acid;3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoic acid;3H-2-benzofuran-1-one;ethane;ethyl 4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine-1-carboxylate;ethyl 4-oxopiperidine-1-carboxylate;hydride;methyl 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoate;methyl 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoate;methyl 4-chloro-2,2-dimethylbutanoate;methyl 3-iodo-2,2-dimethylpropanoate;oxido formate;2-(phenoxymethyl)benzoic acid;hydroxide;phenoxide;hydrochloride?
The IUPAC name of dipotassium;disodium;6H-benzo[c][1]benzoxepin-11-one;4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine;4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoic acid;3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoic acid;3H-2-benzofuran-1-one;ethane;ethyl 4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine-1-carboxylate;ethyl 4-oxopiperidine-1-carboxylate;hydride;methyl 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoate;methyl 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoate;methyl 4-chloro-2,2-dimethylbutanoate;methyl 3-iodo-2,2-dimethylpropanoate;oxido formate;2-(phenoxymethyl)benzoic acid;hydroxide;phenoxide;hydrochloride (CID 158268835) is dipotassium;disodium;6H-benzo[c][1]benzoxepin-11-one;4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine;4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoic acid;3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoic acid;3H-2-benzofuran-1-one;ethane;ethyl 4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine-1-carboxylate;ethyl 4-oxopiperidine-1-carboxylate;hydride;methyl 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoate;methyl 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoate;methyl 4-chloro-2,2-dimethylbutanoate;methyl 3-iodo-2,2-dimethylpropanoate;oxido formate;2-(phenoxymethyl)benzoic acid;hydroxide;phenoxide;hydrochloride.
What is the SMILES notation for dipotassium;disodium;6H-benzo[c][1]benzoxepin-11-one;4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine;4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoic acid;3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoic acid;3H-2-benzofuran-1-one;ethane;ethyl 4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine-1-carboxylate;ethyl 4-oxopiperidine-1-carboxylate;hydride;methyl 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoate;methyl 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoate;methyl 4-chloro-2,2-dimethylbutanoate;methyl 3-iodo-2,2-dimethylpropanoate;oxido formate;2-(phenoxymethyl)benzoic acid;hydroxide;phenoxide;hydrochloride?
The canonical SMILES for dipotassium;disodium;6H-benzo[c][1]benzoxepin-11-one;4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine;4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoic acid;3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoic acid;3H-2-benzofuran-1-one;ethane;ethyl 4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine-1-carboxylate;ethyl 4-oxopiperidine-1-carboxylate;hydride;methyl 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoate;methyl 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoate;methyl 4-chloro-2,2-dimethylbutanoate;methyl 3-iodo-2,2-dimethylpropanoate;oxido formate;2-(phenoxymethyl)benzoic acid;hydroxide;phenoxide;hydrochloride is CC.CC(C)(CCN1CCC(=C2c3ccccc3COc3ccccc32)CC1)C(=O)O.CC(C)(CN1CCC(=C2c3ccccc3COc3ccccc32)CC1)C(=O)O.CCOC(=O)N1CCC(=C2c3ccccc3COc3ccccc32)CC1.CCOC(=O)N1CCC(=O)CC1.COC(=O)C(C)(C)CCCl.COC(=O)C(C)(C)CCN1CCC(=C2c3ccccc3COc3ccccc32)CC1.COC(=O)C(C)(C)CI.COC(=O)C(C)(C)CN1CCC(=C2c3ccccc3COc3ccccc32)CC1.Cl.O=C(O)c1ccccc1COc1ccccc1.O=C1OCc2ccccc21.O=C1c2ccccc2COc2ccccc21.O=CO[O-].[H-].[K+].[K+].[Na+].[Na+].[O-]c1ccccc1.[OH-].c1ccc2c(c1)COc1ccccc1C2=C1CCNCC1.
What is the InChIKey of dipotassium;disodium;6H-benzo[c][1]benzoxepin-11-one;4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine;4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoic acid;3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoic acid;3H-2-benzofuran-1-one;ethane;ethyl 4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine-1-carboxylate;ethyl 4-oxopiperidine-1-carboxylate;hydride;methyl 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoate;methyl 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoate;methyl 4-chloro-2,2-dimethylbutanoate;methyl 3-iodo-2,2-dimethylpropanoate;oxido formate;2-(phenoxymethyl)benzoic acid;hydroxide;phenoxide;hydrochloride?
The InChIKey is JIKMQLSDTSDQTD-UHFFFAOYSA-K. The full InChI is InChI=1S/C26H31NO3.2C25H29NO3.C24H27NO3.C22H23NO3.C19H19NO.C14H12O3.C14H10O2.C8H13NO3.C8H6O2.C7H13ClO2.C6H11IO2.C6H6O.C2H6.CH2O3.ClH.2K.2Na.H2O.H/c1-26(2,25(28)29-3)14-17-27-15-12-19(13-16-27)24-21-9-5-4-8-20(21)18-30-23-11-7-6-10-22(23)24;1-25(2,24(27)28-3)17-26-14-12-18(13-15-26)23-20-9-5-4-8-19(20)16-29-22-11-7-6-10-21(22)23;1-25(2,24(27)28)13-16-26-14-11-18(12-15-26)23-20-8-4-3-7-19(20)17-29-22-10-6-5-9-21(22)23;1-24(2,23(26)27)16-25-13-11-17(12-14-25)22-19-8-4-3-7-18(19)15-28-21-10-6-5-9-20(21)22;1-2-25-22(24)23-13-11-16(12-14-23)21-18-8-4-3-7-17(18)15-26-20-10-6-5-9-19(20)21;1-2-6-16-15(5-1)13-21-18-8-4-3-7-17(18)19(16)14-9-11-20-12-10-14;15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12;15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14;1-2-12-8(11)9-5-3-7(10)4-6-9;9-8-7-4-2-1-3-6(7)5-10-8;1-7(2,4-5-8)6(9)10-3;1-6(2,4-7)5(8)9-3;7-6-4-2-1-3-5-6;1-2;2-1-4-3;;;;;;;/h4-11H,12-18H2,1-3H3;4-11H,12-17H2,1-3H3;3-10H,11-17H2,1-2H3,(H,27,28);3-10H,11-16H2,1-2H3,(H,26,27);3-10H,2,11-15H2,1H3;1-8,20H,9-13H2;1-9H,10H2,(H,15,16);1-8H,9H2;2-6H2,1H3;1-4H,5H2;4-5H2,1-3H3;4H2,1-3H3;1-5,7H;1-2H3;1,3H;1H;;;;;1H2;/q;;;;;;;;;;;;;;;;4*+1;;-1/p-3.
What are the key properties of dipotassium;disodium;6H-benzo[c][1]benzoxepin-11-one;4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine;4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoic acid;3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoic acid;3H-2-benzofuran-1-one;ethane;ethyl 4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine-1-carboxylate;ethyl 4-oxopiperidine-1-carboxylate;hydride;methyl 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoate;methyl 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoate;methyl 4-chloro-2,2-dimethylbutanoate;methyl 3-iodo-2,2-dimethylpropanoate;oxido formate;2-(phenoxymethyl)benzoic acid;hydroxide;phenoxide;hydrochloride?
dipotassium;disodium;6H-benzo[c][1]benzoxepin-11-one;4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine;4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoic acid;3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoic acid;3H-2-benzofuran-1-one;ethane;ethyl 4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine-1-carboxylate;ethyl 4-oxopiperidine-1-carboxylate;hydride;methyl 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoate;methyl 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoate;methyl 4-chloro-2,2-dimethylbutanoate;methyl 3-iodo-2,2-dimethylpropanoate;oxido formate;2-(phenoxymethyl)benzoic acid;hydroxide;phenoxide;hydrochloride has a molecular weight of 3706.18 g/mol, XLogP of 27.67, 26 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;disodium;6H-benzo[c][1]benzoxepin-11-one;4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine;4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoic acid;3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoic acid;3H-2-benzofuran-1-one;ethane;ethyl 4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidine-1-carboxylate;ethyl 4-oxopiperidine-1-carboxylate;hydride;methyl 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoate;methyl 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoate;methyl 4-chloro-2,2-dimethylbutanoate;methyl 3-iodo-2,2-dimethylpropanoate;oxido formate;2-(phenoxymethyl)benzoic acid;hydroxide;phenoxide;hydrochloride is sourced from PubChem (CID 158268835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).