CAS RN: 68443-90-3
CAS Name: 1-butanol; morpholine; phosphoric acid
OPENEYE Name: butan-1-ol; morpholine; phosphoric acid
IUPAC Name: butan-1-ol; morpholine; phosphoric acid
SYSTEMATIC NAME: butan-1-ol; morpholine; phosphoric acid
MOLECULAR FORMULA: C8H22NO6P
MOLECULAR WEIGHT: 259.237141
SMILES: CCCCO.C1COCCN1.OP(=O)(O)O
Structure:
CAS RN: 68527-97-9
CAS Name: 1-butanol; morpholine; phosphoric acid
OPENEYE Name: butan-1-ol; morpholine; phosphoric acid
IUPAC Name: butan-1-ol; morpholine; phosphoric acid
SYSTEMATIC NAME: butan-1-ol; morpholine; phosphoric acid
MOLECULAR FORMULA: C8H22NO6P
MOLECULAR WEIGHT: 259.237141
SMILES: CCCCO.C1COCCN1.OP(=O)(O)O
Structure:
CAS RN: 68443-82-3
CAS Name: 3-dodecylbenzenesulfonic acid; 2-(2-methyl-1-oxoprop-2-enoxy)ethanesulfonic acid; 2-propanol; titanium
OPENEYE Name: 3-dodecylbenzenesulfonic acid; 2-(2-methylprop-2-enoyloxy)ethanesulfonic acid; propan-2-ol; titanium
IUPAC Name: 3-dodecylbenzenesulfonic acid; 2-(2-methylprop-2-enoyloxy)ethanesulfonic acid; propan-2-ol; titanium
SYSTEMATIC NAME: 3-dodecylbenzenesulfonic acid; 2-(2-methylprop-2-enoyloxy)ethanesulfonic acid; propan-2-ol; titanium
MOLECULAR FORMULA: C45H78O12S3Ti
MOLECULAR WEIGHT: 955.15562
SMILES: CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.CC(C)O.CC(=C)C(=O)OCCS(=O)(=O)O.[Ti]
Structure:
CAS RN: 68443-81-2
CAS Name: 3-dodecylbenzenesulfonic acid; 2-(methylamino)ethanesulfonic acid; 2-propanol; titanium
OPENEYE Name: 3-dodecylbenzenesulfonic acid; 2-(methylamino)ethanesulfonic acid; propan-2-ol; titanium
IUPAC Name: 3-dodecylbenzenesulfonic acid; 2-(methylamino)ethanesulfonic acid; propan-2-ol; titanium
SYSTEMATIC NAME: 3-dodecylbenzenesulfonic acid; 2-(methylamino)ethanesulfonic acid; propan-2-ol; titanium
MOLECULAR FORMULA: C42H77NO10S3Ti
MOLECULAR WEIGHT: 900.12348
SMILES: CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.CC(C)O.CNCCS(=O)(=O)O.[Ti]
Structure:
CAS RN: 68443-76-5
CAS Name: 16-methylheptadecanoic acid; 4-(2-phenylpropan-2-yl)phenol; 2-propanol; titanium
OPENEYE Name: 16-methylheptadecanoic acid; 4-(1-methyl-1-phenyl-ethyl)phenol; propan-2-ol; titanium
IUPAC Name: 16-methylheptadecanoic acid; 4-(2-phenylpropan-2-yl)phenol; propan-2-ol; titanium
SYSTEMATIC NAME: 16-methylheptadecanoic acid; 4-(2-phenylpropan-2-yl)phenol; propan-2-ol; titanium
MOLECULAR FORMULA: C54H96O6Ti
MOLECULAR WEIGHT: 889.20344
SMILES: CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)O.CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O.[Ti]
Structure:
CAS RN: 68443-74-3
CAS Name: 16-methylheptadecanoic acid; phthalic acid; 2-propanol; titanium
OPENEYE Name: 16-methylheptadecanoic acid; phthalic acid; propan-2-ol; titanium
IUPAC Name: 16-methylheptadecanoic acid; phthalic acid; propan-2-ol; titanium
SYSTEMATIC NAME: 16-methylheptadecanoic acid; phthalic acid; propan-2-ol; titanium
MOLECULAR FORMULA: C86H166O14Ti2
MOLECULAR WEIGHT: 1519.96384
SMILES: CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)O.CC(C)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O.[Ti].[Ti]
Structure:
CAS RN: 119912-55-9
CAS Name: octadecanoic acid; 2-propanol; titanium
OPENEYE Name: propan-2-ol; stearic acid; titanium
IUPAC Name: octadecanoic acid; propan-2-ol; titanium
SYSTEMATIC NAME: octadecanoic acid; propan-2-ol; titanium
MOLECULAR FORMULA: C57H116O7Ti
MOLECULAR WEIGHT: 961.39374
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CC(C)O.[Ti]
Structure:
CAS RN: 160281-42-5
CAS Name: octadecanoic acid; 2-propanol; titanium
OPENEYE Name: propan-2-ol; stearic acid; titanium
IUPAC Name: octadecanoic acid; propan-2-ol; titanium
SYSTEMATIC NAME: octadecanoic acid; propan-2-ol; titanium
MOLECULAR FORMULA: C57H116O7Ti
MOLECULAR WEIGHT: 961.39374
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CC(C)O.[Ti]
Structure:
CAS RN: 68443-53-8
CAS Name: octadecanoic acid; 2-propanol; titanium
OPENEYE Name: propan-2-ol; stearic acid; titanium
IUPAC Name: octadecanoic acid; propan-2-ol; titanium
SYSTEMATIC NAME: octadecanoic acid; propan-2-ol; titanium
MOLECULAR FORMULA: C57H116O7Ti
MOLECULAR WEIGHT: 961.39374
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CC(C)O.[Ti]
Structure:
CAS RN: 80421-47-2
CAS Name: octadecanoic acid; 2-propanol; titanium
OPENEYE Name: propan-2-ol; stearic acid; titanium
IUPAC Name: octadecanoic acid; propan-2-ol; titanium
SYSTEMATIC NAME: octadecanoic acid; propan-2-ol; titanium
MOLECULAR FORMULA: C57H116O7Ti
MOLECULAR WEIGHT: 961.39374
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CC(C)O.[Ti]
Structure:
CAS RN: 68443-46-9
CAS Name: 2,2-bis(prop-2-enoxymethyl)-1-butanolate; titanium(4+)
OPENEYE Name: 2,2-bis(allyloxymethyl)butan-1-olate; titanium(4+)
IUPAC Name: 2,2-bis(prop-2-enoxymethyl)butan-1-olate; titanium(4+)
SYSTEMATIC NAME: 2,2-bis(prop-2-enoxymethyl)butan-1-olate; titanium(4+)
MOLECULAR FORMULA: C48H84O12Ti
MOLECULAR WEIGHT: 901.04036
SMILES: CCC(C[O-])(COCC=C)COCC=C.CCC(C[O-])(COCC=C)COCC=C.CCC(C[O-])(COCC=C)COCC=C.CCC(C[O-])(COCC=C)COCC=C.[Ti+4]
Structure:
CAS RN: 68443-40-3
CAS Name: 8-(3-octyl-2-oxiranyl)octanoic acid; 2-propanol; titanium
OPENEYE Name: 8-(3-octyloxiran-2-yl)octanoic acid; propan-2-ol; titanium
IUPAC Name: 8-(3-octyloxiran-2-yl)octanoic acid; propan-2-ol; titanium
SYSTEMATIC NAME: 8-(3-octyloxiran-2-yl)octanoic acid; propan-2-ol; titanium
MOLECULAR FORMULA: C57H110O10Ti
MOLECULAR WEIGHT: 1003.3443
SMILES: CCCCCCCCC1C(O1)CCCCCCCC(=O)O.CCCCCCCCC1C(O1)CCCCCCCC(=O)O.CCCCCCCCC1C(O1)CCCCCCCC(=O)O.CC(C)O.[Ti]
Structure:
CAS RN: 68442-89-7
CAS Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; docosanoic acid
OPENEYE Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; docosanoic acid
IUPAC Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; docosanoic acid
SYSTEMATIC NAME: N'-[2-[2-(2-azanylethylamino)ethylamino]ethyl]ethane-1,2-diamine; docosanoic acid
MOLECULAR FORMULA: C30H67N5O2
MOLECULAR WEIGHT: 529.88528
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)O.C(CNCCNCCNCCN)N
Structure:
CAS RN: 68442-87-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H27N3Na2O9S2
MOLECULAR WEIGHT: 551.54192
SMILES: CCN.CN.C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O.C(CO)N.[O-]S(=O)S(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 68442-57-9
CAS Name: ammonium; [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; formaldehyde; 1-phenylethanone; sulfuric acid; thiocyanate
OPENEYE Name: ammonium; [(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; formaldehyde; 1-phenylethanone; sulfuric acid; thiocyanate
IUPAC Name: azanium; [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; formaldehyde; 1-phenylethanone; sulfuric acid; thiocyanate
SYSTEMATIC NAME: azanium; [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; methanal; 1-phenylethanone; sulfuric acid; thiocyanate
MOLECULAR FORMULA: C30H47N3O6S2
MOLECULAR WEIGHT: 609.84068
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C.CC(=O)C1=CC=CC=C1.C=O.C(#N)[S-].[NH4+].OS(=O)(=O)O
Structure:
CAS RN: 68442-50-2
CAS Name: chloromethylbenzene; 2-methyl-2-propenoic acid 2-(dimethylamino)ethyl ester; 2-methyl-2-propenoic acid methyl ester; 2-methyl-2-propenoic acid 2-(2-methyl-1-oxoprop-2-enoxy)ethyl ester
OPENEYE Name: chloromethylbenzene; 2-(dimethylamino)ethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
IUPAC Name: chloromethylbenzene; 2-(dimethylamino)ethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: chloromethylbenzene; 2-(dimethylamino)ethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C30H44ClNO8
MOLECULAR WEIGHT: 582.12526
SMILES: CC(=C)C(=O)OC.CC(=C)C(=O)OCCN(C)C.CC(=C)C(=O)OCCOC(=O)C(=C)C.C1=CC=C(C=C1)CCl
Structure:
CAS RN: 68002-27-7
CAS Name: formaldehyde; 2-methylenebutanoic acid; 2-methyl-2-propenoic acid; 2-propenamide; styrene
OPENEYE Name: formaldehyde; 2-methylenebutanoic acid; 2-methylprop-2-enoic acid; prop-2-enamide; styrene
IUPAC Name: formaldehyde; 2-methylidenebutanoic acid; 2-methylprop-2-enoic acid; prop-2-enamide; styrene
SYSTEMATIC NAME: ethenylbenzene; methanal; 2-methylidenebutanoic acid; 2-methylprop-2-enoic acid; prop-2-enamide
MOLECULAR FORMULA: C21H29NO6
MOLECULAR WEIGHT: 391.45806
SMILES: CCC(=C)C(=O)O.CC(=C)C(=O)O.C=CC1=CC=CC=C1.C=CC(=O)N.C=O
Structure:
CAS RN: 68442-47-7
CAS Name: formaldehyde; 2-methylenebutanoic acid; 2-methyl-2-propenoic acid; 2-propenamide; styrene
OPENEYE Name: formaldehyde; 2-methylenebutanoic acid; 2-methylprop-2-enoic acid; prop-2-enamide; styrene
IUPAC Name: formaldehyde; 2-methylidenebutanoic acid; 2-methylprop-2-enoic acid; prop-2-enamide; styrene
SYSTEMATIC NAME: ethenylbenzene; methanal; 2-methylidenebutanoic acid; 2-methylprop-2-enoic acid; prop-2-enamide
MOLECULAR FORMULA: C21H29NO6
MOLECULAR WEIGHT: 391.45806
SMILES: CCC(=C)C(=O)O.CC(=C)C(=O)O.C=CC1=CC=CC=C1.C=CC(=O)N.C=O
Structure:
CAS RN: 65060-23-3
CAS Name: formaldehyde; 2-propenamide; 2-propenoic acid; 2-propenoic acid 2-ethylhexyl ester; styrene
OPENEYE Name: acrylic acid; 2-ethylhexyl prop-2-enoate; formaldehyde; prop-2-enamide; styrene
IUPAC Name: 2-ethylhexyl prop-2-enoate; formaldehyde; prop-2-enamide; prop-2-enoic acid; styrene
SYSTEMATIC NAME: ethenylbenzene; 2-ethylhexyl prop-2-enoate; methanal; prop-2-enamide; prop-2-enoic acid
MOLECULAR FORMULA: C26H39NO6
MOLECULAR WEIGHT: 461.59096
SMILES: CCCCC(CC)COC(=O)C=C.C=CC1=CC=CC=C1.C=CC(=O)N.C=CC(=O)O.C=O
Structure:
CAS RN: 68442-46-6
CAS Name: formaldehyde; 2-propenamide; 2-propenoic acid; 2-propenoic acid 2-ethylhexyl ester; styrene
OPENEYE Name: acrylic acid; 2-ethylhexyl prop-2-enoate; formaldehyde; prop-2-enamide; styrene
IUPAC Name: 2-ethylhexyl prop-2-enoate; formaldehyde; prop-2-enamide; prop-2-enoic acid; styrene
SYSTEMATIC NAME: ethenylbenzene; 2-ethylhexyl prop-2-enoate; methanal; prop-2-enamide; prop-2-enoic acid
MOLECULAR FORMULA: C26H39NO6
MOLECULAR WEIGHT: 461.59096
SMILES: CCCCC(CC)COC(=O)C=C.C=CC1=CC=CC=C1.C=CC(=O)N.C=CC(=O)O.C=O
Structure:
CAS RN: 68442-39-7
CAS Name: sodium; 1,2-bis(ethenyl)benzene; 2-propenenitrile; styrene
OPENEYE Name: sodium; 1,2-divinylbenzene; prop-2-enenitrile; styrene
IUPAC Name: sodium; 1,2-bis(ethenyl)benzene; prop-2-enenitrile; styrene
SYSTEMATIC NAME: sodium; 1,2-bis(ethenyl)benzene; ethenylbenzene; prop-2-enenitrile
MOLECULAR FORMULA: C21H21NNa+
MOLECULAR WEIGHT: 310.38791
SMILES: C=CC#N.C=CC1=CC=CC=C1.C=CC1=CC=CC=C1C=C.[Na+]
Structure:
CAS RN: 68240-01-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H48
MOLECULAR WEIGHT: 588.86262
SMILES: CC1=CC=CC=C1C=C.CC(=C)C1=CC=CC=C1.C=CC1=CC=CC=C1.C1C=CC2C1C3CC2C=C3.C1C=CC2=CC=CC=C21
Structure:
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