CAS RN: 90815-32-0
CAS Name: 3-(3,5-dichlorophenyl)-1-[(E)-1-oxohex-2-enyl]imidazolidine-2,4-dione
OPENEYE Name: 3-(3,5-dichlorophenyl)-1-[(E)-hex-2-enoyl]imidazolidine-2,4-dione
IUPAC Name: 3-(3,5-dichlorophenyl)-1-[(E)-hex-2-enoyl]imidazolidine-2,4-dione
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)phenyl]-1-[(E)-hex-2-enoyl]imidazolidine-2,4-dione
MOLECULAR FORMULA: C15H14Cl2N2O3
MOLECULAR WEIGHT: 341.18926
SMILES: CCC/C=C/C(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl
Structure:
CAS RN: 90815-31-9
CAS Name: 3-(3,5-dichlorophenyl)-1-[(E)-1-oxopent-2-enyl]imidazolidine-2,4-dione
OPENEYE Name: 3-(3,5-dichlorophenyl)-1-[(E)-pent-2-enoyl]imidazolidine-2,4-dione
IUPAC Name: 3-(3,5-dichlorophenyl)-1-[(E)-pent-2-enoyl]imidazolidine-2,4-dione
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)phenyl]-1-[(E)-pent-2-enoyl]imidazolidine-2,4-dione
MOLECULAR FORMULA: C14H12Cl2N2O3
MOLECULAR WEIGHT: 327.16268
SMILES: CC/C=C/C(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl
Structure:
CAS RN: 90815-30-8
CAS Name: 3-(3,5-dichlorophenyl)-1-[(E)-1-oxobut-2-enyl]imidazolidine-2,4-dione
OPENEYE Name: 1-[(E)-but-2-enoyl]-3-(3,5-dichlorophenyl)imidazolidine-2,4-dione
IUPAC Name: 1-[(E)-but-2-enoyl]-3-(3,5-dichlorophenyl)imidazolidine-2,4-dione
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)phenyl]-1-[(E)-but-2-enoyl]imidazolidine-2,4-dione
MOLECULAR FORMULA: C13H10Cl2N2O3
MOLECULAR WEIGHT: 313.1361
SMILES: C/C=C/C(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl
Structure:
CAS RN: 90730-71-5
CAS Name: (2R)-2-[(1E,3R,4R,6R,7Z,9Z,11E)-3,4,6,13-tetrahydroxy-3-methyltrideca-1,7,9,11-tetraenyl]-2,3-dihydropyran-6-one
OPENEYE Name: (2R)-2-[(1E,3R,4R,6R,7Z,9Z,11E)-3,4,6,13-tetrahydroxy-3-methyl-trideca-1,7,9,11-tetraenyl]-2,3-dihydropyran-6-one
IUPAC Name: (2R)-2-[(1E,3R,4R,6R,7Z,9Z,11E)-3,4,6,13-tetrahydroxy-3-methyltrideca-1,7,9,11-tetraenyl]-2,3-dihydropyran-6-one
SYSTEMATIC NAME: (2R)-2-[(1E,3R,4R,6R,7Z,9Z,11E)-3-methyl-3,4,6,13-tetrakis(oxidanyl)trideca-1,7,9,11-tetraenyl]-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C19H26O6
MOLECULAR WEIGHT: 350.40614
SMILES: C[C@@](/C=C/[C@H]1CC=CC(=O)O1)([C@@H](C[C@H](/C=C\C=C/C=C/CO)O)O)O
Structure:
CAS RN: 90730-70-4
CAS Name: acetic acid [(2E,4E,6E,12E)-8-acetyloxy-11-hydroxy-11-methyl-13-(6-oxo-2,3-dihydropyran-2-yl)-10-phosphonooxytrideca-2,4,6,12-tetraenyl] ester
OPENEYE Name: [(2E,4E,6E,12E)-8-acetoxy-11-hydroxy-11-methyl-13-(6-oxo-2,3-dihydropyran-2-yl)-10-phosphonooxy-trideca-2,4,6,12-tetraenyl] acetate
IUPAC Name: [(2E,4E,6E,12E)-8-acetyloxy-11-hydroxy-11-methyl-13-(6-oxo-2,3-dihydropyran-2-yl)-10-phosphonooxytrideca-2,4,6,12-tetraenyl] acetate
SYSTEMATIC NAME: [(2E,4E,6E,12E)-8-acetyloxy-11-methyl-11-oxidanyl-13-(6-oxidanylidene-2,3-dihydropyran-2-yl)-10-phosphonooxy-trideca-2,4,6,12-tetraenyl] ethanoate
MOLECULAR FORMULA: C23H31O11P
MOLECULAR WEIGHT: 514.459401
SMILES: CC(=O)OC/C=C/C=C/C=C/C(CC(C(C)(/C=C/C1CC=CC(=O)O1)O)OP(=O)(O)O)OC(=O)C
Structure:
CAS RN: 90418-21-6
CAS Name: (E)-3-(3,5-dichlorophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3,5-dichlorophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3,5-dichlorophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3,5-bis(chloranyl)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C9H6Cl2O2
MOLECULAR WEIGHT: 217.04874
SMILES: C1=C(C=C(C=C1Cl)Cl)/C=C/C(=O)O
Structure:
CAS RN: 90405-01-9
CAS Name: (E)-2-butenedioic acid; 2-(diethylamino)-N-(5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)acetamide
OPENEYE Name: 2-(diethylamino)-N-(5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)acetamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-(diethylamino)-N-(5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)acetamide
SYSTEMATIC NAME: N-[5,5-bis(oxidanylidene)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-2-(diethylamino)ethanamide; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C24H28N2O7S
MOLECULAR WEIGHT: 488.55332
SMILES: CCN(CC)CC(=O)NC1C2=CC=CC=C2CS(=O)(=O)C3=CC=CC=C13.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 90042-98-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H36O12
MOLECULAR WEIGHT: 540.55684
SMILES: C[C@H]1C(=O)O[C@@H]\2[C@@]1([C@H]([C@H]3[C@]([C@@H](C[C@@H]([C@@]3([C@H](/C=C\C(=C2)\CO)OC(=O)C)C)OC(=O)C)O)(C)O)OC(=O)C)O
Structure:
CAS RN: 28061-47-4
CAS Name: (2E,4E)-octadeca-2,4-dienoic acid methyl ester
OPENEYE Name: methyl (2E,4E)-octadeca-2,4-dienoate
IUPAC Name: methyl (2E,4E)-octadeca-2,4-dienoate
SYSTEMATIC NAME: methyl (2E,4E)-octadeca-2,4-dienoate
MOLECULAR FORMULA: C19H34O2
MOLECULAR WEIGHT: 294.47206
SMILES: CCCCCCCCCCCCC/C=C/C=C/C(=O)OC
Structure:
CAS RN: 27675-37-2
CAS Name: (E)-1-nitro-1-butene
OPENEYE Name: (E)-1-nitrobut-1-ene
IUPAC Name: (E)-1-nitrobut-1-ene
SYSTEMATIC NAME: (E)-1-nitrobut-1-ene
MOLECULAR FORMULA: C4H7NO2
MOLECULAR WEIGHT: 101.10388
SMILES: CC/C=C/[N+](=O)[O-]
Structure:
CAS RN: 27670-93-5
CAS Name: 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaenyl]-3-methylnaphthalene-1,4-dione
OPENEYE Name: 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaenyl]-3-methyl-naphthalene-1,4-dione
IUPAC Name: 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaenyl]-3-methylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaenyl]-3-methyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C71H104O2
MOLECULAR WEIGHT: 989.58426
SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
Structure:
CAS RN: 14783-23-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H70N4O6Zn
MOLECULAR WEIGHT: 948.5765
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C=O.[Zn+2]
Structure:
CAS RN: 15739-06-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H70N4O6Zn
MOLECULAR WEIGHT: 948.5765
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C=O.[Zn+2]
Structure:
CAS RN: 22088-19-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H70N4O6Zn
MOLECULAR WEIGHT: 948.5765
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C=O.[Zn+2]
Structure:
CAS RN: 68299-13-8
CAS Name: 2-aminoethanol; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: 2-aminoethanol; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: 2-aminoethanol; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: 2-azanylethanol; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C38H71NO5
MOLECULAR WEIGHT: 621.97404
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(N)CO
Structure:
CAS RN: 68295-51-2
CAS Name: (E)-3-[1-carboxyethoxy(oxo)methyl]-4-pentadecenoic acid; 4-methyl-2H-benzotriazole
OPENEYE Name: (E)-3-(1-carboxyethoxycarbonyl)pentadec-4-enoic acid; 4-methyl-2H-benzotriazole
IUPAC Name: (E)-3-(1-carboxyethoxycarbonyl)pentadec-4-enoic acid; 4-methyl-2H-benzotriazole
SYSTEMATIC NAME: 4-methyl-2H-benzotriazole; (E)-3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxycarbonylpentadec-4-enoic acid
MOLECULAR FORMULA: C33H46N6O6
MOLECULAR WEIGHT: 622.75494
SMILES: CCCCCCCCCC/C=C/C(CC(=O)O)C(=O)OC(C)C(=O)O.CC1=CC=CC2=NNN=C12.CC1=CC=CC2=NNN=C12
Structure:
CAS RN: 68258-69-5
CAS Name: (Z)-9-octadecenoic acid; 2-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]guanidine
OPENEYE Name: (Z)-octadec-9-enoic acid; 2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]guanidine
IUPAC Name: (Z)-octadec-9-enoic acid; 2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]guanidine
SYSTEMATIC NAME: (Z)-octadec-9-enoic acid; 2-[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]guanidine
MOLECULAR FORMULA: C26H43N3O3
MOLECULAR WEIGHT: 445.63792
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.C1=C/C(=C\N=C(N)N)/C(=O)C=C1
Structure:
CAS RN: 68227-93-0
CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; isobenzofuran-1,3-dione; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: adipic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; isobenzofuran-1,3-dione; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C56H92O14
MOLECULAR WEIGHT: 989.32128
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCC(CO)(CO)CO.C1=CC=C2C(=O)OC(=O)C2=C1.C(CC(=O)O)CCC(=O)O
Structure:
CAS RN: 68227-65-6
CAS Name: disodium 2-[[1-[4-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]-3-sulfonatophenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoate
OPENEYE Name: disodium 2-[[1-[4-[(E)-2-(4-amino-2-sulfo-phenyl)vinyl]-3-sulfonato-phenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoate
IUPAC Name: disodium 2-[[1-[4-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]-3-sulfonatophenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoate
SYSTEMATIC NAME: disodium 2-[[1-[4-[(E)-2-(4-azanyl-2-sulfo-phenyl)ethenyl]-3-sulfonato-phenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoate
MOLECULAR FORMULA: C25H19N5Na2O9S2
MOLECULAR WEIGHT: 643.556
SMILES: CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)[O-])C3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 68227-25-8
CAS Name: 2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol; (Z)-9-octadecenoic acid
OPENEYE Name: 2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol; (Z)-octadec-9-enoic acid
IUPAC Name: 2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: 2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C27H55N3O5
MOLECULAR WEIGHT: 501.7427
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.C1N(CN(CN1CCO)CCO)CCO
Structure:
CAS RN: 68214-93-7
CAS Name: acetic acid ethenyl ester; (Z)-4-butoxy-4-oxo-2-butenoic acid; 2-methyl-2-propenoic acid; 2-methyl-2-propenoic acid dodecyl ester; 2-methyl-2-propenoic acid 2-oxiranylmethyl ester
OPENEYE Name: (Z)-4-butoxy-4-oxo-but-2-enoic acid; dodecyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; oxiran-2-ylmethyl 2-methylprop-2-enoate; vinyl acetate
IUPAC Name: (Z)-4-butoxy-4-oxobut-2-enoic acid; dodecyl 2-methylprop-2-enoate; ethenyl acetate; 2-methylprop-2-enoic acid; oxiran-2-ylmethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: (Z)-4-butoxy-4-oxidanylidene-but-2-enoic acid; dodecyl 2-methylprop-2-enoate; ethenyl ethanoate; 2-methylprop-2-enoic acid; oxiran-2-ylmethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C39H64O13
MOLECULAR WEIGHT: 740.91766
SMILES: CCCCCCCCCCCCOC(=O)C(=C)C.CCCCOC(=O)/C=C\C(=O)O.CC(=C)C(=O)O.CC(=C)C(=O)OCC1CO1.CC(=O)OC=C
Structure:
CAS RN: 68214-77-7
CAS Name: 3-methoxy-1-propanamine; (Z)-9-octadecenoic acid
OPENEYE Name: 3-methoxypropan-1-amine; (Z)-octadec-9-enoic acid
IUPAC Name: 3-methoxypropan-1-amine; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: 3-methoxypropan-1-amine; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C22H45NO3
MOLECULAR WEIGHT: 371.5976
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.COCCCN
Structure:
CAS RN: 178738-89-1
CAS Name: (E)-2-butenedioic acid; 2-methyloxirane; oxirane
OPENEYE Name: fumaric acid; 2-methyloxirane; oxirane
IUPAC Name: (E)-but-2-enedioic acid; 2-methyloxirane; oxirane
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-methyloxirane; oxirane
MOLECULAR FORMULA: C9H14O6
MOLECULAR WEIGHT: 218.20386
SMILES: CC1CO1.C1CO1.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 57916-91-3
CAS Name: (E)-2-butenedioic acid; 2-methyloxirane; oxirane
OPENEYE Name: fumaric acid; 2-methyloxirane; oxirane
IUPAC Name: (E)-but-2-enedioic acid; 2-methyloxirane; oxirane
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-methyloxirane; oxirane
MOLECULAR FORMULA: C9H14O6
MOLECULAR WEIGHT: 218.20386
SMILES: CC1CO1.C1CO1.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 68186-54-9
CAS Name: (E)-2-butenedioic acid; 2-methyloxirane; oxirane
OPENEYE Name: fumaric acid; 2-methyloxirane; oxirane
IUPAC Name: (E)-but-2-enedioic acid; 2-methyloxirane; oxirane
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-methyloxirane; oxirane
MOLECULAR FORMULA: C9H14O6
MOLECULAR WEIGHT: 218.20386
SMILES: CC1CO1.C1CO1.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 68400-72-6
CAS Name: (E)-2-butenedioic acid; 2-methyloxirane; oxirane
OPENEYE Name: fumaric acid; 2-methyloxirane; oxirane
IUPAC Name: (E)-but-2-enedioic acid; 2-methyloxirane; oxirane
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-methyloxirane; oxirane
MOLECULAR FORMULA: C9H14O6
MOLECULAR WEIGHT: 218.20386
SMILES: CC1CO1.C1CO1.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 84287-16-1
CAS Name: (E)-2-butenedioic acid; 2-methyloxirane; oxirane
OPENEYE Name: fumaric acid; 2-methyloxirane; oxirane
IUPAC Name: (E)-but-2-enedioic acid; 2-methyloxirane; oxirane
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-methyloxirane; oxirane
MOLECULAR FORMULA: C9H14O6
MOLECULAR WEIGHT: 218.20386
SMILES: CC1CO1.C1CO1.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 68171-59-5
CAS Name: ammonium; (Z)-4-amino-4-oxo-2-butenoate; (Z)-2-butenedioic acid; styrene
OPENEYE Name: ammonium; (Z)-4-amino-4-oxo-but-2-enoate; maleic acid; styrene
IUPAC Name: azanium; (Z)-4-amino-4-oxobut-2-enoate; (Z)-but-2-enedioic acid; styrene
SYSTEMATIC NAME: azanium; (Z)-4-azanyl-4-oxidanylidene-but-2-enoate; (Z)-but-2-enedioic acid; ethenylbenzene
MOLECULAR FORMULA: C16H20N2O7
MOLECULAR WEIGHT: 352.3392
SMILES: C=CC1=CC=CC=C1.C(=C\C(=O)[O-])\C(=O)N.C(=C\C(=O)O)\C(=O)O.[NH4+]
Structure:
CAS RN: 68171-51-7
CAS Name: (Z)-9-hexadecenoic acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: (Z)-hexadec-9-enoic acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: (Z)-hexadec-9-enoic acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: (Z)-hexadec-9-enoic acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C20H41NO4
MOLECULAR WEIGHT: 359.54384
SMILES: CCCCCC/C=C\CCCCCCCC(=O)O.C(CO)NCCO
Structure:
CAS RN: 68155-81-7
CAS Name: furan-2,5-dione; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: furan-2,5-dione; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: furan-2,5-dione; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: furan-2,5-dione; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C40H66O7
MOLECULAR WEIGHT: 658.94784
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C1=CC(=O)OC1=O
Structure:
CAS RN: 68140-63-6
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-dodecylbenzenesulfonic acid; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-dodecylbenzenesulfonic acid; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-dodecylbenzenesulfonic acid; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; 2-dodecylbenzenesulfonic acid; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C58H107N3O7S
MOLECULAR WEIGHT: 990.55108
SMILES: CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(N)CNCCN
Structure:
CAS RN: 68140-24-9
CAS Name: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine; sulfuric acid diethyl ester
OPENEYE Name: diethyl sulfate; 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
IUPAC Name: diethyl sulfate; 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SYSTEMATIC NAME: diethyl sulfate; 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
MOLECULAR FORMULA: C26H53N3O4S
MOLECULAR WEIGHT: 503.78172
SMILES: CCCCCCCCCCCCCCC/C=C/C1=NCCN1CCN.CCOS(=O)(=O)OCC
Structure:
CAS RN: 68133-62-0
CAS Name: 2-(ethylamino)ethanol; (Z)-9-octadecenoic acid
OPENEYE Name: 2-(ethylamino)ethanol; (Z)-octadec-9-enoic acid
IUPAC Name: 2-(ethylamino)ethanol; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: 2-(ethylamino)ethanol; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C22H45NO3
MOLECULAR WEIGHT: 371.5976
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.CCNCCO
Structure:
CAS RN: 68123-53-5
CAS Name: (E)-2,5-dimethyl-2-hexenoic acid; 2-methyl-2-propenoic acid 2-ethylhexyl ester; 2-propenoic acid; 2-propenoic acid 2-hydroxyethyl ester; styrene
OPENEYE Name: acrylic acid; (E)-2,5-dimethylhex-2-enoic acid; 2-ethylhexyl 2-methylprop-2-enoate; 2-hydroxyethyl prop-2-enoate; styrene
IUPAC Name: (E)-2,5-dimethylhex-2-enoic acid; 2-ethylhexyl 2-methylprop-2-enoate; 2-hydroxyethyl prop-2-enoate; prop-2-enoic acid; styrene
SYSTEMATIC NAME: (E)-2,5-dimethylhex-2-enoic acid; ethenylbenzene; 2-ethylhexyl 2-methylprop-2-enoate; 2-hydroxyethyl prop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C36H56O9
MOLECULAR WEIGHT: 632.82444
SMILES: CCCCC(CC)COC(=O)C(=C)C.CC(C)C/C=C(\C)/C(=O)O.C=CC1=CC=CC=C1.C=CC(=O)O.C=CC(=O)OCCO
Structure:
CAS RN: 68123-23-9
CAS Name: ethane-1,2-diamine; hexane-1,6-diamine; nonanedioic acid; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: ethane-1,2-diamine; hexane-1,6-diamine; nonanedioic acid; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: ethane-1,2-diamine; hexane-1,6-diamine; nonanedioic acid; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: ethane-1,2-diamine; hexane-1,6-diamine; nonanedioic acid; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C53H104N4O8
MOLECULAR WEIGHT: 925.41486
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(CCN)CCCN.C(N)CN
Structure:
CAS RN: 69929-26-6
CAS Name: ethane-1,2-diamine; hexane-1,6-diamine; nonanedioic acid; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: ethane-1,2-diamine; hexane-1,6-diamine; nonanedioic acid; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: ethane-1,2-diamine; hexane-1,6-diamine; nonanedioic acid; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: ethane-1,2-diamine; hexane-1,6-diamine; nonanedioic acid; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C53H104N4O8
MOLECULAR WEIGHT: 925.41486
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(CCN)CCCN.C(N)CN
Structure:
CAS RN: 68123-22-8
CAS Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol; (9Z,12Z)-octadeca-9,12-dienoic acid; terephthalic acid
OPENEYE Name: butane-1,4-diol; isophthalic acid; (9Z,12Z)-octadeca-9,12-dienoic acid; terephthalic acid
IUPAC Name: benzene-1,3-dicarboxylic acid; butane-1,4-diol; (9Z,12Z)-octadeca-9,12-dienoic acid; terephthalic acid
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; butane-1,4-diol; (9Z,12Z)-octadeca-9,12-dienoic acid; terephthalic acid
MOLECULAR FORMULA: C56H86O14
MOLECULAR WEIGHT: 983.27364
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)CCO
Structure:
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