CAS RN: 68411-47-2
CAS Name: 4,4-bis(4-aminophenyl)-1-butoxy-2-butanol
OPENEYE Name: 4,4-bis(4-aminophenyl)-1-butoxy-butan-2-ol
IUPAC Name: 4,4-bis(4-aminophenyl)-1-butoxybutan-2-ol
SYSTEMATIC NAME: 4,4-bis(4-aminophenyl)-1-butoxy-butan-2-ol
MOLECULAR FORMULA: C20H28N2O2
MOLECULAR WEIGHT: 328.44852
SMILES: CCCCOCC(CC(C1=CC=C(C=C1)N)C2=CC=C(C=C2)N)O
Structure:
CAS RN: 68411-43-8
CAS Name: 1,2-diethylbenzene; 1-ethenyl-2-ethylbenzene; iron(3+); oxygen(2-)
OPENEYE Name: diferric; 1,2-diethylbenzene; 1-ethyl-2-vinyl-benzene; oxygen(2-)
IUPAC Name: 1,2-diethylbenzene; 1-ethenyl-2-ethylbenzene; iron(3+); oxygen(2-)
SYSTEMATIC NAME: 1,2-diethylbenzene; 1-ethenyl-2-ethyl-benzene; iron(3+); oxygen(2-)
MOLECULAR FORMULA: C20H26Fe2O3
MOLECULAR WEIGHT: 426.10864
SMILES: CCC1=CC=CC=C1CC.CCC1=CC=CC=C1C=C.[O-2].[O-2].[O-2].[Fe+3].[Fe+3]
Structure:
CAS RN: 68411-42-7
CAS Name: 1,2-diethylbenzene; iron(3+); oxygen(2-)
OPENEYE Name: diferric; 1,2-diethylbenzene; oxygen(2-)
IUPAC Name: 1,2-diethylbenzene; iron(3+); oxygen(2-)
SYSTEMATIC NAME: 1,2-diethylbenzene; iron(3+); oxygen(2-)
MOLECULAR FORMULA: C10H14Fe2O3
MOLECULAR WEIGHT: 293.90636
SMILES: CCC1=CC=CC=C1CC.[O-2].[O-2].[O-2].[Fe+3].[Fe+3]
Structure:
CAS RN: 68411-36-9
CAS Name: disodium benzene-1,4-diamine sulfide
OPENEYE Name: disodium benzene-1,4-diamine sulfide
IUPAC Name: disodium benzene-1,4-diamine sulfide
SYSTEMATIC NAME: disodium benzene-1,4-diamine sulfide
MOLECULAR FORMULA: C6H8N2Na2S
MOLECULAR WEIGHT: 186.18566
SMILES: C1=CC(=CC=C1N)N.[Na+].[Na+].[S-2]
Structure:
CAS RN: 68411-35-8
CAS Name: benzene-1,3-diol; 4-chloro-2,6-dimethylphenol
OPENEYE Name: benzene-1,3-diol; 4-chloro-2,6-dimethyl-phenol
IUPAC Name: benzene-1,3-diol; 4-chloro-2,6-dimethylphenol
SYSTEMATIC NAME: benzene-1,3-diol; 4-chloranyl-2,6-dimethyl-phenol
MOLECULAR FORMULA: C14H15ClO3
MOLECULAR WEIGHT: 266.7201
SMILES: CC1=CC(=CC(=C1O)C)Cl.C1=CC(=CC(=C1)O)O
Structure:
CAS RN: 68411-34-7
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; benzene-1,3-diol
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; benzene-1,3-diol
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; benzene-1,3-diol
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; benzene-1,3-diol
MOLECULAR FORMULA: C10H19N3O2
MOLECULAR WEIGHT: 213.27676
SMILES: C1=CC(=CC(=C1)O)O.C(CNCCN)N
Structure:
CAS RN: 68411-29-0
CAS Name: 2-(4-aminoanilino)-5-nitrobenzenesulfonic acid; 2-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(4-aminoanilino)-5-nitro-benzenesulfonic acid; 2-methyl-1,4-benzoquinone
IUPAC Name: 2-(4-aminoanilino)-5-nitrobenzenesulfonic acid; 2-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-[(4-aminophenyl)amino]-5-nitro-benzenesulfonic acid; 2-methylcyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C19H17N3O7S
MOLECULAR WEIGHT: 431.41918
SMILES: CC1=CC(=O)C=CC1=O.C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O
Structure:
CAS RN: 68411-28-9
CAS Name: disodium; 4-methylbenzenesulfonic acid; phenol; sulfate
OPENEYE Name: disodium; 4-methylbenzenesulfonic acid; phenol; sulfate
IUPAC Name: disodium; 4-methylbenzenesulfonic acid; phenol; sulfate
SYSTEMATIC NAME: disodium; 4-methylbenzenesulfonic acid; phenol; sulfate
MOLECULAR FORMULA: C13H14Na2O8S2
MOLECULAR WEIGHT: 408.355
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)O.[O-]S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 68411-23-4
CAS Name: disodium; boron; oxygen(2-); propane-1,2-diol
OPENEYE Name: disodium; boron; oxygen(2-); propane-1,2-diol
IUPAC Name: disodium; boron; oxygen(2-); propane-1,2-diol
SYSTEMATIC NAME: disodium; boron; oxygen(2-); propane-1,2-diol
MOLECULAR FORMULA: C3H8B2Na2O3
MOLECULAR WEIGHT: 159.69536
SMILES: [B].[B].CC(CO)O.[O-2].[Na+].[Na+]
Structure:
CAS RN: 68411-21-2
CAS Name: trisodium propane-1,2-diol borate
OPENEYE Name: trisodium propane-1,2-diol borate
IUPAC Name: trisodium propane-1,2-diol borate
SYSTEMATIC NAME: trisodium propane-1,2-diol borate
MOLECULAR FORMULA: C3H8BNa3O5
MOLECULAR WEIGHT: 203.87293
SMILES: B([O-])([O-])[O-].CC(CO)O.[Na+].[Na+].[Na+]
Structure:
CAS RN: 68411-18-7
CAS Name: 9-bromo-3-nonanone; 3-oxobutanoic acid
OPENEYE Name: 9-bromononan-3-one; 3-oxobutanoic acid
IUPAC Name: 9-bromononan-3-one; 3-oxobutanoic acid
SYSTEMATIC NAME: 9-bromanylnonan-3-one; 3-oxidanylidenebutanoic acid
MOLECULAR FORMULA: C13H23BrO4
MOLECULAR WEIGHT: 323.22332
SMILES: CCC(=O)CCCCCCBr.CC(=O)CC(=O)O
Structure:
CAS RN: 68411-17-6
CAS Name: 2-butyne-1,4-diol; 1-chloro-2-(2-chloroethoxy)ethane
OPENEYE Name: but-2-yne-1,4-diol; 1-chloro-2-(2-chloroethoxy)ethane
IUPAC Name: but-2-yne-1,4-diol; 1-chloro-2-(2-chloroethoxy)ethane
SYSTEMATIC NAME: but-2-yne-1,4-diol; 1-chloranyl-2-(2-chloroethyloxy)ethane
MOLECULAR FORMULA: C8H14Cl2O3
MOLECULAR WEIGHT: 229.10096
SMILES: C(CCl)OCCCl.C(C#CCO)O
Structure:
CAS RN: 68411-02-9
CAS Name: copper; 2-aminoethanol; sulfane; sulfide
OPENEYE Name: copper; 2-aminoethanol; hydrogen sulfide; sulfide
IUPAC Name: copper; 2-aminoethanol; sulfane; sulfide
SYSTEMATIC NAME: copper; 2-azanylethanol; sulfane; sulfide
MOLECULAR FORMULA: C2H9CuNOS2
MOLECULAR WEIGHT: 190.77496
SMILES: C(CO)N.S.[S-2].[Cu+2]
Structure:
CAS RN: 68411-01-8
CAS Name: boric acid; propane-1,2-diol
OPENEYE Name: boric acid; propane-1,2-diol
IUPAC Name: boric acid; propane-1,2-diol
SYSTEMATIC NAME: boric acid; propane-1,2-diol
MOLECULAR FORMULA: C3H11BO5
MOLECULAR WEIGHT: 137.92744
SMILES: B(O)(O)O.CC(CO)O
Structure:
CAS RN: 68409-64-3
CAS Name: dodecanoic acid 2-hydroxypropyl ester; phthalic acid
OPENEYE Name: 2-hydroxypropyl dodecanoate; phthalic acid
IUPAC Name: 2-hydroxypropyl dodecanoate; phthalic acid
SYSTEMATIC NAME: 2-oxidanylpropyl dodecanoate; phthalic acid
MOLECULAR FORMULA: C23H36O7
MOLECULAR WEIGHT: 424.52774
SMILES: CCCCCCCCCCCC(=O)OCC(C)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O
Structure:
CAS RN: 68409-62-1
CAS Name: ethane-1,2-diamine; nonanedioic acid; octadecanoic acid
OPENEYE Name: ethane-1,2-diamine; nonanedioic acid; stearic acid
IUPAC Name: ethane-1,2-diamine; nonanedioic acid; octadecanoic acid
SYSTEMATIC NAME: ethane-1,2-diamine; nonanedioic acid; octadecanoic acid
MOLECULAR FORMULA: C29H60N2O6
MOLECULAR WEIGHT: 532.7965
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(CN)N
Structure:
CAS RN: 68130-54-1
CAS Name: decanedioic acid; ethane-1,2-diamine; octadecanoic acid
OPENEYE Name: decanedioic acid; ethane-1,2-diamine; stearic acid
IUPAC Name: decanedioic acid; ethane-1,2-diamine; octadecanoic acid
SYSTEMATIC NAME: decanedioic acid; ethane-1,2-diamine; octadecanoic acid
MOLECULAR FORMULA: C30H62N2O6
MOLECULAR WEIGHT: 546.82308
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C(CCCCC(=O)O)CCCC(=O)O.C(CN)N
Structure:
CAS RN: 68409-61-0
CAS Name: decanedioic acid; ethane-1,2-diamine; octadecanoic acid
OPENEYE Name: decanedioic acid; ethane-1,2-diamine; stearic acid
IUPAC Name: decanedioic acid; ethane-1,2-diamine; octadecanoic acid
SYSTEMATIC NAME: decanedioic acid; ethane-1,2-diamine; octadecanoic acid
MOLECULAR FORMULA: C30H62N2O6
MOLECULAR WEIGHT: 546.82308
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C(CCCCC(=O)O)CCCC(=O)O.C(CN)N
Structure:
CAS RN: 68409-58-5
CAS Name: 1-hexadecoxyoctadecane; 2-methyloxirane; oxirane
OPENEYE Name: 1-hexadecoxyoctadecane; 2-methyloxirane; oxirane
IUPAC Name: 1-hexadecoxyoctadecane; 2-methyloxirane; oxirane
SYSTEMATIC NAME: 1-hexadecoxyoctadecane; 2-methyloxirane; oxirane
MOLECULAR FORMULA: C39H80O3
MOLECULAR WEIGHT: 597.0507
SMILES: CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC.CC1CO1.C1CO1
Structure:
CAS RN: 68400-81-7
CAS Name: 1,2-bis(ethenyl)benzene; 1-ethenyl-2-ethylbenzene; 1-ethenyl-2-pyrrolidinone
OPENEYE Name: 1,2-divinylbenzene; 1-ethyl-2-vinyl-benzene; 1-vinylpyrrolidin-2-one
IUPAC Name: 1,2-bis(ethenyl)benzene; 1-ethenyl-2-ethylbenzene; 1-ethenylpyrrolidin-2-one
SYSTEMATIC NAME: 1,2-bis(ethenyl)benzene; 1-ethenyl-2-ethyl-benzene; 1-ethenylpyrrolidin-2-one
MOLECULAR FORMULA: C26H31NO
MOLECULAR WEIGHT: 373.53044
SMILES: CCC1=CC=CC=C1C=C.C=CC1=CC=CC=C1C=C.C=CN1CCCC1=O
Structure:
CAS RN: 68400-77-1
CAS Name: 2-[[4-hydroxy-3-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenyl]methyl]-1-naphthalenesulfonic acid
OPENEYE Name: 2-[[4-hydroxy-3-(4-hydroxy-3-methyl-phenyl)sulfonyl-2-methyl-phenyl]methyl]naphthalene-1-sulfonic acid
IUPAC Name: 2-[[4-hydroxy-3-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenyl]methyl]naphthalene-1-sulfonic acid
SYSTEMATIC NAME: 2-[[2-methyl-3-(3-methyl-4-oxidanyl-phenyl)sulfonyl-4-oxidanyl-phenyl]methyl]naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C25H22O7S2
MOLECULAR WEIGHT: 498.56798
SMILES: CC1=C(C=CC(=C1)S(=O)(=O)C2=C(C=CC(=C2C)CC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)O)O
Structure:
CAS RN: 68400-74-8
CAS Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; (9Z,12Z)-octadeca-9,12-dienoic acid methyl ester
OPENEYE Name: 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; methyl (9Z,12Z)-octadeca-9,12-dienoate
IUPAC Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; methyl (9Z,12Z)-octadeca-9,12-dienoate
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; methyl (9Z,12Z)-octadeca-9,12-dienoate
MOLECULAR FORMULA: C37H55ClO5
MOLECULAR WEIGHT: 615.2826
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl
Structure:
CAS RN: 68400-71-5
CAS Name: (E)-2-butenedioic acid; 2-methyloxirane; oxirane; propane-1,2,3-triol
OPENEYE Name: fumaric acid; glycerol; 2-methyloxirane; oxirane
IUPAC Name: (E)-but-2-enedioic acid; 2-methyloxirane; oxirane; propane-1,2,3-triol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-methyloxirane; oxirane; propane-1,2,3-triol
MOLECULAR FORMULA: C12H22O9
MOLECULAR WEIGHT: 310.29768
SMILES: CC1CO1.C1CO1.C(C(CO)O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 68400-70-4
CAS Name: cyclohexanone; formaldehyde; toluene
OPENEYE Name: cyclohexanone; formaldehyde; toluene
IUPAC Name: cyclohexanone; formaldehyde; toluene
SYSTEMATIC NAME: cyclohexanone; methanal; methylbenzene
MOLECULAR FORMULA: C14H20O2
MOLECULAR WEIGHT: 220.3074
SMILES: CC1=CC=CC=C1.C=O.C1CCC(=O)CC1
Structure:
CAS RN: 68400-68-0
CAS Name: benzene-1,3-dicarboxylic acid; (9Z,12Z)-octadeca-9,12-dienoic acid; propane-1,2-diol
OPENEYE Name: isophthalic acid; (9Z,12Z)-octadeca-9,12-dienoic acid; propane-1,2-diol
IUPAC Name: benzene-1,3-dicarboxylic acid; (9Z,12Z)-octadeca-9,12-dienoic acid; propane-1,2-diol
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; (9Z,12Z)-octadeca-9,12-dienoic acid; propane-1,2-diol
MOLECULAR FORMULA: C47H78O10
MOLECULAR WEIGHT: 803.11622
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CC(O)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O
Structure:
CAS RN: 68400-66-8
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; formaldehyde; 2-methyloxirane
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; formaldehyde; 2-methyloxirane
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; formaldehyde; 2-methyloxirane
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; methanal; 2-methyloxirane
MOLECULAR FORMULA: C8H21N3O2
MOLECULAR WEIGHT: 191.27124
SMILES: CC1CO1.C=O.C(CNCCN)N
Structure:
CAS RN: 68400-65-7
CAS Name: N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine; 2-methyloxirane; 2-propenenitrile
OPENEYE Name: N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine; 2-methyloxirane; prop-2-enenitrile
IUPAC Name: N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine; 2-methyloxirane; prop-2-enenitrile
SYSTEMATIC NAME: N'-[2-(2-azanylethylamino)ethyl]ethane-1,2-diamine; 2-methyloxirane; prop-2-enenitrile
MOLECULAR FORMULA: C12H27N5O
MOLECULAR WEIGHT: 257.37568
SMILES: CC1CO1.C=CC#N.C(CNCCNCCN)N
Structure:
CAS RN: 68400-63-5
CAS Name: 2-cyanoguanidine; formaldehyde; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal; phenol
OPENEYE Name: 2-cyanoguanidine; formaldehyde; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal; phenol
IUPAC Name: 2-cyanoguanidine; formaldehyde; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal; phenol
SYSTEMATIC NAME: 2-cyanoguanidine; methanal; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanal; phenol
MOLECULAR FORMULA: C15H24N4O8
MOLECULAR WEIGHT: 388.37306
SMILES: C=O.C1=CC=C(C=C1)O.C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O.C(#N)N=C(N)N
Structure:
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