CAS RN: 120375-41-9
CAS Name: 8-phenyloctylammonium nitrate
OPENEYE Name: 8-phenyloctylammonium nitrate
IUPAC Name: 8-phenyloctylazanium nitrate
SYSTEMATIC NAME: 8-phenyloctylazanium nitrate
MOLECULAR FORMULA: C14H24N2O3
MOLECULAR WEIGHT: 268.35196
SMILES: C1=CC=C(C=C1)CCCCCCCC[NH3+].[N+](=O)([O-])[O-]
Structure:
CAS RN: 120122-98-7
CAS Name: butanoic acid [4-[4-(1-oxopentyl)phenyl]azophenyl] ester
OPENEYE Name: [4-(4-pentanoylphenyl)azophenyl] butanoate
IUPAC Name: [4-[(4-pentanoylphenyl)diazenyl]phenyl] butanoate
SYSTEMATIC NAME: [4-[(4-pentanoylphenyl)diazenyl]phenyl] butanoate
MOLECULAR FORMULA: C21H24N2O3
MOLECULAR WEIGHT: 352.42686
SMILES: CCCCC(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)OC(=O)CCC
Structure:
CAS RN: 120103-11-9
CAS Name: octadecanoic acid [4-[4-(1-oxopentyl)phenyl]azophenyl] ester
OPENEYE Name: [4-(4-pentanoylphenyl)azophenyl] octadecanoate
IUPAC Name: [4-[(4-pentanoylphenyl)diazenyl]phenyl] octadecanoate
SYSTEMATIC NAME: [4-[(4-pentanoylphenyl)diazenyl]phenyl] octadecanoate
MOLECULAR FORMULA: C35H52N2O3
MOLECULAR WEIGHT: 548.79898
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CCCC
Structure:
CAS RN: 120103-10-8
CAS Name: heptadecanoic acid [4-[4-(1-oxopentyl)phenyl]azophenyl] ester
OPENEYE Name: [4-(4-pentanoylphenyl)azophenyl] heptadecanoate
IUPAC Name: [4-[(4-pentanoylphenyl)diazenyl]phenyl] heptadecanoate
SYSTEMATIC NAME: [4-[(4-pentanoylphenyl)diazenyl]phenyl] heptadecanoate
MOLECULAR FORMULA: C34H50N2O3
MOLECULAR WEIGHT: 534.7724
SMILES: CCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CCCC
Structure:
CAS RN: 120103-09-5
CAS Name: hexadecanoic acid [4-[4-(1-oxopentyl)phenyl]azophenyl] ester
OPENEYE Name: [4-(4-pentanoylphenyl)azophenyl] hexadecanoate
IUPAC Name: [4-[(4-pentanoylphenyl)diazenyl]phenyl] hexadecanoate
SYSTEMATIC NAME: [4-[(4-pentanoylphenyl)diazenyl]phenyl] hexadecanoate
MOLECULAR FORMULA: C33H48N2O3
MOLECULAR WEIGHT: 520.74582
SMILES: CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CCCC
Structure:
CAS RN: 120103-08-4
CAS Name: pentadecanoic acid [4-[4-(1-oxopentyl)phenyl]azophenyl] ester
OPENEYE Name: [4-(4-pentanoylphenyl)azophenyl] pentadecanoate
IUPAC Name: [4-[(4-pentanoylphenyl)diazenyl]phenyl] pentadecanoate
SYSTEMATIC NAME: [4-[(4-pentanoylphenyl)diazenyl]phenyl] pentadecanoate
MOLECULAR FORMULA: C32H46N2O3
MOLECULAR WEIGHT: 506.71924
SMILES: CCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CCCC
Structure:
CAS RN: 120103-06-2
CAS Name: tridecanoic acid [4-[4-(1-oxopentyl)phenyl]azophenyl] ester
OPENEYE Name: [4-(4-pentanoylphenyl)azophenyl] tridecanoate
IUPAC Name: [4-[(4-pentanoylphenyl)diazenyl]phenyl] tridecanoate
SYSTEMATIC NAME: [4-[(4-pentanoylphenyl)diazenyl]phenyl] tridecanoate
MOLECULAR FORMULA: C30H42N2O3
MOLECULAR WEIGHT: 478.66608
SMILES: CCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CCCC
Structure:
CAS RN: 120103-05-1
CAS Name: dodecanoic acid [4-[4-(1-oxopentyl)phenyl]azophenyl] ester
OPENEYE Name: [4-(4-pentanoylphenyl)azophenyl] dodecanoate
IUPAC Name: [4-[(4-pentanoylphenyl)diazenyl]phenyl] dodecanoate
SYSTEMATIC NAME: [4-[(4-pentanoylphenyl)diazenyl]phenyl] dodecanoate
MOLECULAR FORMULA: C29H40N2O3
MOLECULAR WEIGHT: 464.6395
SMILES: CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CCCC
Structure:
CAS RN: 120103-04-0
CAS Name: undecanoic acid [4-[4-(1-oxopentyl)phenyl]azophenyl] ester
OPENEYE Name: [4-(4-pentanoylphenyl)azophenyl] undecanoate
IUPAC Name: [4-[(4-pentanoylphenyl)diazenyl]phenyl] undecanoate
SYSTEMATIC NAME: [4-[(4-pentanoylphenyl)diazenyl]phenyl] undecanoate
MOLECULAR FORMULA: C28H38N2O3
MOLECULAR WEIGHT: 450.61292
SMILES: CCCCCCCCCCC(=O)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CCCC
Structure:
CAS RN: 120103-03-9
CAS Name: decanoic acid [4-[4-(1-oxopentyl)phenyl]azophenyl] ester
OPENEYE Name: [4-(4-pentanoylphenyl)azophenyl] decanoate
IUPAC Name: [4-[(4-pentanoylphenyl)diazenyl]phenyl] decanoate
SYSTEMATIC NAME: [4-[(4-pentanoylphenyl)diazenyl]phenyl] decanoate
MOLECULAR FORMULA: C27H36N2O3
MOLECULAR WEIGHT: 436.58634
SMILES: CCCCCCCCCC(=O)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CCCC
Structure:
CAS RN: 120103-01-7
CAS Name: octanoic acid [4-[4-(1-oxopentyl)phenyl]azophenyl] ester
OPENEYE Name: [4-(4-pentanoylphenyl)azophenyl] octanoate
IUPAC Name: [4-[(4-pentanoylphenyl)diazenyl]phenyl] octanoate
SYSTEMATIC NAME: [4-[(4-pentanoylphenyl)diazenyl]phenyl] octanoate
MOLECULAR FORMULA: C25H32N2O3
MOLECULAR WEIGHT: 408.53318
SMILES: CCCCCCCC(=O)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CCCC
Structure:
CAS RN: 120103-00-6
CAS Name: heptanoic acid [4-[4-(1-oxopentyl)phenyl]azophenyl] ester
OPENEYE Name: [4-(4-pentanoylphenyl)azophenyl] heptanoate
IUPAC Name: [4-[(4-pentanoylphenyl)diazenyl]phenyl] heptanoate
SYSTEMATIC NAME: [4-[(4-pentanoylphenyl)diazenyl]phenyl] heptanoate
MOLECULAR FORMULA: C24H30N2O3
MOLECULAR WEIGHT: 394.5066
SMILES: CCCCCCC(=O)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CCCC
Structure:
CAS RN: 120102-99-0
CAS Name: hexanoic acid [4-[4-(1-oxopentyl)phenyl]azophenyl] ester
OPENEYE Name: [4-(4-pentanoylphenyl)azophenyl] hexanoate
IUPAC Name: [4-[(4-pentanoylphenyl)diazenyl]phenyl] hexanoate
SYSTEMATIC NAME: [4-[(4-pentanoylphenyl)diazenyl]phenyl] hexanoate
MOLECULAR FORMULA: C23H28N2O3
MOLECULAR WEIGHT: 380.48002
SMILES: CCCCCC(=O)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CCCC
Structure:
CAS RN: 120102-98-9
CAS Name: pentanoic acid [4-[4-(1-oxopentyl)phenyl]azophenyl] ester
OPENEYE Name: [4-(4-pentanoylphenyl)azophenyl] pentanoate
IUPAC Name: [4-[(4-pentanoylphenyl)diazenyl]phenyl] pentanoate
SYSTEMATIC NAME: [4-[(4-pentanoylphenyl)diazenyl]phenyl] pentanoate
MOLECULAR FORMULA: C22H26N2O3
MOLECULAR WEIGHT: 366.45344
SMILES: CCCCC(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)OC(=O)CCCC
Structure:
CAS RN: 120102-97-8
CAS Name: propanoic acid [4-[4-(1-oxopentyl)phenyl]azophenyl] ester
OPENEYE Name: [4-(4-pentanoylphenyl)azophenyl] propanoate
IUPAC Name: [4-[(4-pentanoylphenyl)diazenyl]phenyl] propanoate
SYSTEMATIC NAME: [4-[(4-pentanoylphenyl)diazenyl]phenyl] propanoate
MOLECULAR FORMULA: C20H22N2O3
MOLECULAR WEIGHT: 338.40028
SMILES: CCCCC(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)OC(=O)CC
Structure:
CAS RN: 120102-96-7
CAS Name: acetic acid [4-[4-(1-oxopentyl)phenyl]azophenyl] ester
OPENEYE Name: [4-(4-pentanoylphenyl)azophenyl] acetate
IUPAC Name: [4-[(4-pentanoylphenyl)diazenyl]phenyl] acetate
SYSTEMATIC NAME: [4-[(4-pentanoylphenyl)diazenyl]phenyl] ethanoate
MOLECULAR FORMULA: C19H20N2O3
MOLECULAR WEIGHT: 324.3737
SMILES: CCCCC(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)OC(=O)C
Structure:
CAS RN: 119336-68-4
CAS Name: diisoselenocyanato(dimethyl)silane
OPENEYE Name: diisoselenocyanato(dimethyl)silane
IUPAC Name: diisoselenocyanato(dimethyl)silane
SYSTEMATIC NAME: diisoselenocyanato(dimethyl)silane
MOLECULAR FORMULA: C4H6N2Se2Si
MOLECULAR WEIGHT: 268.10934
SMILES: C[Si](C)(N=C=[Se])N=C=[Se]
Structure:
CAS RN: 119152-81-7
CAS Name: 2-(methylthio)ethanethioic acid S-ethyl ester
OPENEYE Name: S-ethyl 2-methylsulfanylethanethioate
IUPAC Name: S-ethyl 2-methylsulfanylethanethioate
SYSTEMATIC NAME: S-ethyl 2-methylsulfanylethanethioate
MOLECULAR FORMULA: C5H10OS2
MOLECULAR WEIGHT: 150.2623
SMILES: CCSC(=O)CSC
Structure:
CAS RN: 119121-11-8
CAS Name: (3,5-dimethylphenyl)-(4-phenylmethoxyphenyl)diazene
OPENEYE Name: (4-benzyloxyphenyl)-(3,5-dimethylphenyl)diazene
IUPAC Name: (3,5-dimethylphenyl)-(4-phenylmethoxyphenyl)diazene
SYSTEMATIC NAME: (3,5-dimethylphenyl)-(4-phenylmethoxyphenyl)diazene
MOLECULAR FORMULA: C21H20N2O
MOLECULAR WEIGHT: 316.3963
SMILES: CC1=CC(=CC(=C1)N=NC2=CC=C(C=C2)OCC3=CC=CC=C3)C
Structure:
CAS RN: 118468-18-1
CAS Name: 2-(4-phenoxyphenyl)ethanamine
OPENEYE Name: 2-(4-phenoxyphenyl)ethanamine
IUPAC Name: 2-(4-phenoxyphenyl)ethanamine
SYSTEMATIC NAME: 2-(4-phenoxyphenyl)ethanamine
MOLECULAR FORMULA: C14H15NO
MOLECULAR WEIGHT: 213.275
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CCN
Structure:
CAS RN: 118436-79-6
CAS Name: 3,5-diphenyl-1,2,4,6$l^{2}-thiatriazine
OPENEYE Name: 3,5-diphenyl-1,2,4,6$l^{2}-thiatriazine
IUPAC Name: 3,5-diphenyl-1,2,4,6$l^{2}-thiatriazine
SYSTEMATIC NAME: 3,5-diphenyl-1,2,4,6$l^{2}-thiatriazine
MOLECULAR FORMULA: C14H10N3S
MOLECULAR WEIGHT: 252.3143
SMILES: C1=CC=C(C=C1)C2=NC(=NS[N]2)C3=CC=CC=C3
Structure:
CAS RN: 118436-77-4
CAS Name: 4-phenyl-1$l^{3},2-dithia-3,5-diazacyclopenta-3,5-diene
OPENEYE Name: 4-phenyl-1$l^{3},2-dithia-3,5-diazacyclopenta-3,5-diene
IUPAC Name: 4-phenyl-1$l^{3},2-dithia-3,5-diazacyclopenta-3,5-diene
SYSTEMATIC NAME: 4-phenyl-1$l^{3},2-dithia-3,5-diazacyclopenta-3,5-diene
MOLECULAR FORMULA: C7H5N2S2
MOLECULAR WEIGHT: 181.258
SMILES: C1=CC=C(C=C1)C2=NS[S]=N2
Structure:
CAS RN: 118436-72-9
CAS Name: 3,5-bis(trifluoromethyl)-1,2,4,6$l^{2}-thiatriazine
OPENEYE Name: 3,5-bis(trifluoromethyl)-1,2,4,6$l^{2}-thiatriazine
IUPAC Name: 3,5-bis(trifluoromethyl)-1,2,4,6$l^{2}-thiatriazine
SYSTEMATIC NAME: 3,5-bis(trifluoromethyl)-1,2,4,6$l^{2}-thiatriazine
MOLECULAR FORMULA: C4F6N3S
MOLECULAR WEIGHT: 236.118319
SMILES: C1(=NC(=NS[N]1)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 118436-71-8
CAS Name: 4-(trifluoromethyl)-1,2,3,5$l^{2}-dithiadiazole
OPENEYE Name: 4-(trifluoromethyl)-1,2,3,5$l^{2}-dithiadiazole
IUPAC Name: 4-(trifluoromethyl)-1,2,3,5$l^{2}-dithiadiazole
SYSTEMATIC NAME: 4-(trifluoromethyl)-1,2,3,5$l^{2}-dithiadiazole
MOLECULAR FORMULA: C2F3N2S2
MOLECULAR WEIGHT: 173.16001
SMILES: C1(=NSS[N]1)C(F)(F)F
Structure:
CAS RN: 118436-69-4
CAS Name: 3,5-dichloro-1$l^{3}-thia-2,4,6-triazacyclohexa-1,3,5-triene
OPENEYE Name: 3,5-dichloro-1$l^{3}-thia-2,4,6-triazacyclohexa-1,3,5-triene
IUPAC Name: 3,5-dichloro-1$l^{3}-thia-2,4,6-triazacyclohexa-1,3,5-triene
SYSTEMATIC NAME: 3,5-bis(chloranyl)-1$l^{3}-thia-2,4,6-triazacyclohexa-1,3,5-triene
MOLECULAR FORMULA: C2Cl2N3S
MOLECULAR WEIGHT: 169.0125
SMILES: C1(=NC(=N[S]=N1)Cl)Cl
Structure:
CAS RN: 118436-67-2
CAS Name: 4-chloro-1$l^{3},2-dithia-3,5-diazacyclopenta-3,5-diene
OPENEYE Name: 4-chloro-1$l^{3},2-dithia-3,5-diazacyclopenta-3,5-diene
IUPAC Name: 4-chloro-1$l^{3},2-dithia-3,5-diazacyclopenta-3,5-diene
SYSTEMATIC NAME: 4-chloranyl-1$l^{3},2-dithia-3,5-diazacyclopenta-3,5-diene
MOLECULAR FORMULA: CClN2S2
MOLECULAR WEIGHT: 139.6071
SMILES: C1(=NS[S]=N1)Cl
Structure:
CAS RN: 118177-96-1
CAS Name: 1-[2-(4-methoxyphenyl)ethyl]pyridin-1-ium
OPENEYE Name: 1-[2-(4-methoxyphenyl)ethyl]pyridin-1-ium
IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]pyridin-1-ium
SYSTEMATIC NAME: 1-[2-(4-methoxyphenyl)ethyl]pyridin-1-ium
MOLECULAR FORMULA: C14H16NO+
MOLECULAR WEIGHT: 214.28294
SMILES: COC1=CC=C(C=C1)CC[N+]2=CC=CC=C2
Structure:
CAS RN: 118177-93-8
CAS Name: 1-[2-(4-methylphenyl)ethyl]pyridin-1-ium
OPENEYE Name: 1-[2-(p-tolyl)ethyl]pyridin-1-ium
IUPAC Name: 1-[2-(4-methylphenyl)ethyl]pyridin-1-ium
SYSTEMATIC NAME: 1-[2-(4-methylphenyl)ethyl]pyridin-1-ium
MOLECULAR FORMULA: C14H16N+
MOLECULAR WEIGHT: 198.28354
SMILES: CC1=CC=C(C=C1)CC[N+]2=CC=CC=C2
Structure:
CAS RN: 118177-67-6
CAS Name: 1-[2-(4-nitrophenyl)ethyl]pyridin-1-ium
OPENEYE Name: 1-[2-(4-nitrophenyl)ethyl]pyridin-1-ium
IUPAC Name: 1-[2-(4-nitrophenyl)ethyl]pyridin-1-ium
SYSTEMATIC NAME: 1-[2-(4-nitrophenyl)ethyl]pyridin-1-ium
MOLECULAR FORMULA: C13H13N2O2+
MOLECULAR WEIGHT: 229.25452
SMILES: C1=CC=[N+](C=C1)CCC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 117482-84-5
CAS Name: 3-chloro-4-fluorobenzonitrile
OPENEYE Name: 3-chloro-4-fluoro-benzonitrile
IUPAC Name: 3-chloro-4-fluorobenzonitrile
SYSTEMATIC NAME: 3-chloranyl-4-fluoranyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H3ClFN
MOLECULAR WEIGHT: 155.556823
SMILES: C1=CC(=C(C=C1C#N)Cl)F
Structure:
CAS RN: 117164-17-7
CAS Name: 1,2-dibromo-1,1,2-trideuterioethane
OPENEYE Name: 1,2-dibromo-1,1,2-trideuterio-ethane
IUPAC Name: 1,2-dibromo-1,1,2-trideuterioethane
SYSTEMATIC NAME: 1,2-bis(bromanyl)-1,1,2-trideuterio-ethane
MOLECULAR FORMULA: C2H4Br2
MOLECULAR WEIGHT: 190.879645
SMILES: [2H]C(C([2H])([2H])Br)Br
Structure:
CAS RN: 116573-18-3
CAS Name: 3-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid ethyl ester
OPENEYE Name: ethyl 3-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
IUPAC Name: ethyl 3-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
SYSTEMATIC NAME: ethyl 3-[4-[(6-chloranyl-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
MOLECULAR FORMULA: C18H16ClNO5
MOLECULAR WEIGHT: 361.77634
SMILES: CCOC(=O)CCOC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
Structure:
CAS RN: 116503-39-0
CAS Name: 2,2,5,5,8,8-hexamethylnona-3,6-diyne
OPENEYE Name: 2,2,5,5,8,8-hexamethylnona-3,6-diyne
IUPAC Name: 2,2,5,5,8,8-hexamethylnona-3,6-diyne
SYSTEMATIC NAME: 2,2,5,5,8,8-hexamethylnona-3,6-diyne
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CC(C)(C)C#CC(C)(C)C#CC(C)(C)C
Structure:
CAS RN: 116377-11-8
CAS Name: hexa-1,2,5-triene
OPENEYE Name: hexa-1,2,5-triene
IUPAC Name: hexa-1,2,5-triene
SYSTEMATIC NAME: hexa-1,2,5-triene
MOLECULAR FORMULA: C6H8
MOLECULAR WEIGHT: 80.12772
SMILES: C=CCC=C=C
Structure:
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