CAS RN: 5793-88-4
CAS Name: calcium; 2,3,4,5-tetrahydroxyhexanedioic acid
OPENEYE Name: calcium; 2,3,4,5-tetrahydroxyhexanedioic acid
IUPAC Name: calcium; 2,3,4,5-tetrahydroxyhexanedioic acid
SYSTEMATIC NAME: calcium; 2,3,4,5-tetrakis(oxidanyl)hexanedioic acid
MOLECULAR FORMULA: C6H10CaO8
MOLECULAR WEIGHT: 250.2168
SMILES: C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O.[Ca]
Structure:
CAS RN: 40066-97-5
CAS Name: N,N-bis(2-chloroethyl)-2-methoxy-4-[(3,4,5-trichlorophenyl)iminomethyl]aniline hydrochloride
OPENEYE Name: N,N-bis(2-chloroethyl)-2-methoxy-4-[(3,4,5-trichlorophenyl)iminomethyl]aniline hydrochloride
IUPAC Name: N,N-bis(2-chloroethyl)-2-methoxy-4-[(3,4,5-trichlorophenyl)iminomethyl]aniline hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-methoxy-4-[[3,4,5-tris(chloranyl)phenyl]iminomethyl]aniline hydrochloride
MOLECULAR FORMULA: C18H18Cl6N2O
MOLECULAR WEIGHT: 491.06632
SMILES: COC1=C(C=CC(=C1)C=NC2=CC(=C(C(=C2)Cl)Cl)Cl)N(CCCl)CCCl.Cl
Structure:
CAS RN: 28250-56-8
CAS Name: N,N-bis(2-chloroethyl)-2,5-dimethoxy-4-[[4-[5-methyl-2-(phenylmethyl)-4-thiazolyl]phenyl]iminomethyl]aniline hydrochloride
OPENEYE Name: 4-[[4-(2-benzyl-5-methyl-thiazol-4-yl)phenyl]iminomethyl]-N,N-bis(2-chloroethyl)-2,5-dimethoxy-aniline hydrochloride
IUPAC Name: 4-[[4-(2-benzyl-5-methyl-1,3-thiazol-4-yl)phenyl]iminomethyl]-N,N-bis(2-chloroethyl)-2,5-dimethoxyaniline hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2,5-dimethoxy-4-[[4-[5-methyl-2-(phenylmethyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]aniline hydrochloride
MOLECULAR FORMULA: C30H32Cl3N3O2S
MOLECULAR WEIGHT: 605.01798
SMILES: CC1=C(N=C(S1)CC2=CC=CC=C2)C3=CC=C(C=C3)N=CC4=CC(=C(C=C4OC)N(CCCl)CCCl)OC.Cl
Structure:
CAS RN: 28250-66-0
CAS Name: N,N-bis(2-chloroethyl)-4-[[3-chloro-4-[2-(phenylmethyl)-4-thiazolyl]phenyl]iminomethyl]-2,5-dimethoxyaniline hydrochloride
OPENEYE Name: 4-[[4-(2-benzylthiazol-4-yl)-3-chloro-phenyl]iminomethyl]-N,N-bis(2-chloroethyl)-2,5-dimethoxy-aniline hydrochloride
IUPAC Name: 4-[[4-(2-benzyl-1,3-thiazol-4-yl)-3-chlorophenyl]iminomethyl]-N,N-bis(2-chloroethyl)-2,5-dimethoxyaniline hydrochloride
SYSTEMATIC NAME: 4-[[3-chloranyl-4-[2-(phenylmethyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]-N,N-bis(2-chloroethyl)-2,5-dimethoxy-aniline hydrochloride
MOLECULAR FORMULA: C29H29Cl4N3O2S
MOLECULAR WEIGHT: 625.43646
SMILES: COC1=CC(=C(C=C1C=NC2=CC(=C(C=C2)C3=CSC(=N3)CC4=CC=CC=C4)Cl)OC)N(CCCl)CCCl.Cl
Structure:
CAS RN: 5985-05-7
CAS Name: 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline hydrobromide
OPENEYE Name: 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline hydrobromide
IUPAC Name: 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline hydrobromide
SYSTEMATIC NAME: 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline hydrobromide
MOLECULAR FORMULA: C11H14BrNO2
MOLECULAR WEIGHT: 272.13836
SMILES: CN1CCC2=CC3=C(C=C2C1)OCO3.Br
Structure:
CAS RN: 6636-67-5
CAS Name: 2-hydroxy-2,2-bis(4-methoxyphenyl)acetic acid 2-(1-piperidinyl)ethyl ester hydrochloride
OPENEYE Name: 2-(1-piperidyl)ethyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate hydrochloride
IUPAC Name: 2-piperidin-1-ylethyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate hydrochloride
SYSTEMATIC NAME: 2-piperidin-1-ylethyl 2,2-bis(4-methoxyphenyl)-2-oxidanyl-ethanoate hydrochloride
MOLECULAR FORMULA: C23H30ClNO5
MOLECULAR WEIGHT: 435.941
SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C(=O)OCCN3CCCCC3)O.Cl
Structure:
CAS RN: 30145-40-5
CAS Name: 4-hydroxybenzenesulfonic acid; potassium
OPENEYE Name: 4-hydroxybenzenesulfonic acid; potassium
IUPAC Name: 4-hydroxybenzenesulfonic acid; potassium
SYSTEMATIC NAME: 4-oxidanylbenzenesulfonic acid; potassium
MOLECULAR FORMULA: C6H6KO4S
MOLECULAR WEIGHT: 213.27274
SMILES: C1=CC(=CC=C1O)S(=O)(=O)O.[K]
Structure:
CAS RN: 56236-48-7
CAS Name: 1-[(4-ethenylphenyl)methyl]-3-pyridin-1-iumcarboxamide chloride
OPENEYE Name: 1-[(4-vinylphenyl)methyl]pyridin-1-ium-3-carboxamide chloride
IUPAC Name: 1-[(4-ethenylphenyl)methyl]pyridin-1-ium-3-carboxamide chloride
SYSTEMATIC NAME: 1-[(4-ethenylphenyl)methyl]pyridin-1-ium-3-carboxamide chloride
MOLECULAR FORMULA: C15H15ClN2O
MOLECULAR WEIGHT: 274.7454
SMILES: C=CC1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)N.[Cl-]
Structure:
CAS RN: 3470-07-3
CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylethanethioic acid S-(1-ethyl-3-piperidinyl) ester hydrochloride
OPENEYE Name: S-(1-ethyl-3-piperidyl) 2-cyclohexyl-2-hydroxy-2-phenyl-ethanethioate hydrochloride
IUPAC Name: S-(1-ethylpiperidin-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylethanethioate hydrochloride
SYSTEMATIC NAME: S-(1-ethylpiperidin-3-yl) 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanethioate hydrochloride
MOLECULAR FORMULA: C21H32ClNO2S
MOLECULAR WEIGHT: 398.00228
SMILES: CCN1CCCC(C1)SC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 6636-66-4
CAS Name: 2-hydroxy-2,2-bis(2-methylphenyl)acetic acid 2-(diethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(diethylamino)ethyl 2-hydroxy-2,2-bis(o-tolyl)acetate hydrochloride
IUPAC Name: 2-(diethylamino)ethyl 2-hydroxy-2,2-bis(2-methylphenyl)acetate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 2,2-bis(2-methylphenyl)-2-oxidanyl-ethanoate hydrochloride
MOLECULAR FORMULA: C22H30ClNO3
MOLECULAR WEIGHT: 391.9315
SMILES: CCN(CC)CCOC(=O)C(C1=CC=CC=C1C)(C2=CC=CC=C2C)O.Cl
Structure:
CAS RN: 4571-08-8
CAS Name: 1-hydroxy-1,1-diphenyl-4-(1-piperidinyl)-2-butanone hydrochloride
OPENEYE Name: 1-hydroxy-1,1-diphenyl-4-(1-piperidyl)butan-2-one hydrochloride
IUPAC Name: 1-hydroxy-1,1-diphenyl-4-piperidin-1-ylbutan-2-one hydrochloride
SYSTEMATIC NAME: 1-oxidanyl-1,1-diphenyl-4-piperidin-1-yl-butan-2-one hydrochloride
MOLECULAR FORMULA: C21H26ClNO2
MOLECULAR WEIGHT: 359.88964
SMILES: C1CCN(CC1)CCC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 3670-06-2
CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylethanethioic acid S-[(1-methyl-3-pyrrolidinyl)methyl] ester hydrochloride
OPENEYE Name: S-[(1-methylpyrrolidin-3-yl)methyl] 2-cyclohexyl-2-hydroxy-2-phenyl-ethanethioate hydrochloride
IUPAC Name: S-[(1-methylpyrrolidin-3-yl)methyl] 2-cyclohexyl-2-hydroxy-2-phenylethanethioate hydrochloride
SYSTEMATIC NAME: S-[(1-methylpyrrolidin-3-yl)methyl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanethioate hydrochloride
MOLECULAR FORMULA: C20H30ClNO2S
MOLECULAR WEIGHT: 383.9757
SMILES: CN1CCC(C1)CSC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 1164-44-9
CAS Name: 2-hydroxy-2,2-diphenylethanethioic acid S-[2-(diethylamino)ethyl] ester hydrochloride
OPENEYE Name: S-[2-(diethylamino)ethyl] 2-hydroxy-2,2-diphenyl-ethanethioate hydrochloride
IUPAC Name: S-[2-(diethylamino)ethyl] 2-hydroxy-2,2-diphenylethanethioate hydrochloride
SYSTEMATIC NAME: S-[2-(diethylamino)ethyl] 2-oxidanyl-2,2-diphenyl-ethanethioate hydrochloride
MOLECULAR FORMULA: C20H26ClNO2S
MOLECULAR WEIGHT: 379.94394
SMILES: CCN(CC)CCSC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl
Structure:
CAS RN: 3728-16-3
CAS Name: 2-hydroxy-2,2-diphenylethanethioic acid S-(1-methyl-4-piperidinyl) ester hydrochloride
OPENEYE Name: S-(1-methyl-4-piperidyl) 2-hydroxy-2,2-diphenyl-ethanethioate hydrochloride
IUPAC Name: S-(1-methylpiperidin-4-yl) 2-hydroxy-2,2-diphenylethanethioate hydrochloride
SYSTEMATIC NAME: S-(1-methylpiperidin-4-yl) 2-oxidanyl-2,2-diphenyl-ethanethioate hydrochloride
MOLECULAR FORMULA: C20H24ClNO2S
MOLECULAR WEIGHT: 377.92806
SMILES: CN1CCC(CC1)SC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 3470-08-4
CAS Name: 2-hydroxy-2,2-diphenylethanethioic acid S-[(1-methyl-3-pyrrolidinyl)methyl] ester hydrochloride
OPENEYE Name: S-[(1-methylpyrrolidin-3-yl)methyl] 2-hydroxy-2,2-diphenyl-ethanethioate hydrochloride
IUPAC Name: S-[(1-methylpyrrolidin-3-yl)methyl] 2-hydroxy-2,2-diphenylethanethioate hydrochloride
SYSTEMATIC NAME: S-[(1-methylpyrrolidin-3-yl)methyl] 2-oxidanyl-2,2-diphenyl-ethanethioate hydrochloride
MOLECULAR FORMULA: C20H24ClNO2S
MOLECULAR WEIGHT: 377.92806
SMILES: CN1CCC(C1)CSC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 3470-05-1
CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylethanethioic acid S-[2-(1-pyrrolidinyl)ethyl] ester hydrochloride
OPENEYE Name: S-(2-pyrrolidin-1-ylethyl) 2-cyclopentyl-2-hydroxy-2-phenyl-ethanethioate hydrochloride
IUPAC Name: S-(2-pyrrolidin-1-ylethyl) 2-cyclopentyl-2-hydroxy-2-phenylethanethioate hydrochloride
SYSTEMATIC NAME: S-(2-pyrrolidin-1-ylethyl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanethioate hydrochloride
MOLECULAR FORMULA: C19H28ClNO2S
MOLECULAR WEIGHT: 369.94912
SMILES: C1CCC(C1)C(C2=CC=CC=C2)(C(=O)SCCN3CCCC3)O.Cl
Structure:
CAS RN: 54598-77-5
CAS Name: 3-(carbamimidoylthio)-2-chloropropanoic acid methyl ester hydrochloride
OPENEYE Name: methyl 3-carbamimidoylsulfanyl-2-chloro-propanoate hydrochloride
IUPAC Name: methyl 3-carbamimidoylsulfanyl-2-chloropropanoate hydrochloride
SYSTEMATIC NAME: methyl 3-carbamimidoylsulfanyl-2-chloranyl-propanoate hydrochloride
MOLECULAR FORMULA: C5H10Cl2N2O2S
MOLECULAR WEIGHT: 233.1161
SMILES: COC(=O)C(CSC(=N)N)Cl.Cl
Structure:
CAS RN: 5298-55-5
CAS Name: N-[(1-methyl-2-pyridin-1-iumyl)methyl]acetamide iodide
OPENEYE Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide
IUPAC Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide
SYSTEMATIC NAME: N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide iodide
MOLECULAR FORMULA: C9H13IN2O
MOLECULAR WEIGHT: 292.11679
SMILES: CC(=O)NCC1=CC=CC=[N+]1C.[I-]
Structure:
CAS RN: 24211-47-0
CAS Name: [6-oxo-2-[(Z)-pent-3-en-1-ynyl]-3-pyranyl]-[6-oxo-2-[(E)-pent-3-en-1-ynyl]-3-pyranyl]mercury
OPENEYE Name: [6-oxo-2-[(Z)-pent-3-en-1-ynyl]pyran-3-yl]-[6-oxo-2-[(E)-pent-3-en-1-ynyl]pyran-3-yl]mercury
IUPAC Name: [6-oxo-2-[(Z)-pent-3-en-1-ynyl]pyran-3-yl]-[6-oxo-2-[(E)-pent-3-en-1-ynyl]pyran-3-yl]mercury
SYSTEMATIC NAME: [6-oxidanylidene-2-[(Z)-pent-3-en-1-ynyl]pyran-3-yl]-[6-oxidanylidene-2-[(E)-pent-3-en-1-ynyl]pyran-3-yl]mercury
MOLECULAR FORMULA: C20H14HgO4
MOLECULAR WEIGHT: 518.91276
SMILES: C/C=C/C#CC1=C(C=CC(=O)O1)[Hg]C2=C(OC(=O)C=C2)C#C/C=C\C
Structure:
CAS RN: 67196-00-3
CAS Name: N-phenylcarbamic acid 2-(octan-2-ylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(1-methylheptylamino)ethyl N-phenylcarbamate hydrochloride
IUPAC Name: 2-(octan-2-ylamino)ethyl N-phenylcarbamate hydrochloride
SYSTEMATIC NAME: 2-(octan-2-ylamino)ethyl N-phenylcarbamate hydrochloride
MOLECULAR FORMULA: C17H29ClN2O2
MOLECULAR WEIGHT: 328.87736
SMILES: CCCCCCC(C)NCCOC(=O)NC1=CC=CC=C1.Cl
Structure:
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