CAS RN: 50867-38-4
CAS Name: 6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 3-hydroxy-11-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]hexadecanoic acid; 2-methyl-6-[(4,5,6-trihydroxy-2-methyl-3-oxanyl)oxy]oxane-3,4,5-triol
OPENEYE Name: 6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; 3-hydroxy-11-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-hexadecanoic acid; 2-methyl-6-(4,5,6-trihydroxy-2-methyl-tetrahydropyran-3-yl)oxy-tetrahydropyran-3,4,5-triol
IUPAC Name: 6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 3-hydroxy-11-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexadecanoic acid; 2-methyl-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxane-3,4,5-triol
SYSTEMATIC NAME: 6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 2-methyl-6-[2-methyl-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol; 11-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-hexadecanoic acid
MOLECULAR FORMULA: C40H76O23
MOLECULAR WEIGHT: 925.01764
SMILES: CCCCCC(CCCCCCCC(CC(=O)O)O)OC1C(C(C(C(O1)C)O)O)O.CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)C)O)O)O.C(C1C(C(C(C(O1)O)O)O)O)O
Structure:
CAS RN: 4644-03-5
CAS Name: 1,4-dihydroxy-2-(4-morpholinyl)anthracene-9,10-dione
OPENEYE Name: 1,4-dihydroxy-2-morpholino-anthracene-9,10-dione
IUPAC Name: 1,4-dihydroxy-2-morpholin-4-ylanthracene-9,10-dione
SYSTEMATIC NAME: 2-morpholin-4-yl-1,4-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C18H15NO5
MOLECULAR WEIGHT: 325.3154
SMILES: C1COCCN1C2=CC(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O
Structure:
CAS RN: 58976-84-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H14O6
MOLECULAR WEIGHT: 350.32156
SMILES: CC(=O)OC1C=CCC23C1(C(=O)C=CC2=O)C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 58976-86-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H22O8
MOLECULAR WEIGHT: 462.44808
SMILES: CC(=O)OC1C=CCC2C1C(=O)C34C(C=CCC3(C2=O)C(=O)C5=CC=CC=C5C4=O)OC(=O)C
Structure:
CAS RN: 23180-57-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28O11
MOLECULAR WEIGHT: 480.46182
SMILES: CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)O
Structure:
CAS RN: 4348-76-9
CAS Name: 3-[3-[[4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-oxanyl]oxy]-1-oxodecoxy]decanoic acid
OPENEYE Name: 3-[3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxydecanoyloxy]decanoic acid
IUPAC Name: 3-[3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoyloxy]decanoic acid
SYSTEMATIC NAME: 3-[3-[6-methyl-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxydecanoyloxy]decanoic acid
MOLECULAR FORMULA: C32H58O13
MOLECULAR WEIGHT: 650.79512
SMILES: CCCCCCCC(CC(=O)O)OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)O)OC2C(C(C(C(O2)C)O)O)O
Structure:
CAS RN: 40899-96-5
CAS Name: 5-(methoxymethyl)-2,4-dipyridin-4-ylpyrimido[5,4-b]indole
OPENEYE Name: 5-(methoxymethyl)-2,4-bis(4-pyridyl)pyrimido[5,4-b]indole
IUPAC Name: 5-(methoxymethyl)-2,4-dipyridin-4-ylpyrimido[5,4-b]indole
SYSTEMATIC NAME: 5-(methoxymethyl)-2,4-dipyridin-4-yl-pyrimido[5,4-b]indole
MOLECULAR FORMULA: C22H17N5O
MOLECULAR WEIGHT: 367.40328
SMILES: COCN1C2=CC=CC=C2C3=C1C(=NC(=N3)C4=CC=NC=C4)C5=CC=NC=C5
Structure:
CAS RN: 1706-98-5
CAS Name: diethyl-methyl-sulfanylidenephosphorane
OPENEYE Name: diethyl-methyl-thioxo-$l^{5}-phosphane
IUPAC Name: diethyl-methyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: diethyl-methyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C5H13PS
MOLECULAR WEIGHT: 136.195481
SMILES: CCP(=S)(C)CC
Structure:
CAS RN: 11091-64-8
CAS Name: methyl-dipropyl-sulfanylidenephosphorane
OPENEYE Name: methyl-dipropyl-thioxo-$l^{5}-phosphane
IUPAC Name: methyl-dipropyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: methyl-dipropyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C7H17PS
MOLECULAR WEIGHT: 164.248641
SMILES: CCCP(=S)(C)CCC
Structure:
CAS RN: 16838-87-2
CAS Name: 8-hydroxy-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
OPENEYE Name: 8-hydroxy-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
IUPAC Name: 8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
SYSTEMATIC NAME: 3,6,9-trimethylidene-8-oxidanyl-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
MOLECULAR FORMULA: C15H18O3
MOLECULAR WEIGHT: 246.30162
SMILES: C=C1CCC2C(C3C1CC(C3=C)O)OC(=O)C2=C
Structure:
CAS RN: 58976-87-7
CAS Name: 6,11-dihydroxy-7,10-dihydrotetracene-5,12-dione
OPENEYE Name: 6,11-dihydroxy-7,10-dihydrotetracene-5,12-dione
IUPAC Name: 6,11-dihydroxy-7,10-dihydrotetracene-5,12-dione
SYSTEMATIC NAME: 6,11-bis(oxidanyl)-7,10-dihydrotetracene-5,12-dione
MOLECULAR FORMULA: C18H12O4
MOLECULAR WEIGHT: 292.28548
SMILES: C1C=CCC2=C(C3=C(C(=C21)O)C(=O)C4=CC=CC=C4C3=O)O
Structure:
CAS RN: 61307-23-1
CAS Name: 7-methoxy-1-[[4-[4-[(7-methoxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-yl)methyl]cyclohexyl]oxycyclohexyl]methyl]-2-methyl-1H-isoquinoline
OPENEYE Name: 7-methoxy-1-[[4-[4-[(7-methoxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-yl)methyl]cyclohexoxy]cyclohexyl]methyl]-2-methyl-1H-isoquinoline
IUPAC Name: 7-methoxy-1-[[4-[4-[(7-methoxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-yl)methyl]cyclohexyl]oxycyclohexyl]methyl]-2-methyl-1H-isoquinoline
SYSTEMATIC NAME: 7-methoxy-1-[[4-[4-[(7-methoxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-yl)methyl]cyclohexyl]oxycyclohexyl]methyl]-2-methyl-1H-isoquinoline
MOLECULAR FORMULA: C36H56N2O3
MOLECULAR WEIGHT: 564.84144
SMILES: CN1CCC2CCC(CC2C1CC3CCC(CC3)OC4CCC(CC4)CC5C6=C(C=CC(=C6)OC)C=CN5C)OC
Structure:
CAS RN: 29707-10-6
CAS Name: 2,2-dimethyl-5-phenyl-1H-pyrazol-2-ium-3-one
OPENEYE Name: 2,2-dimethyl-5-phenyl-1H-pyrazol-2-ium-3-one
IUPAC Name: 2,2-dimethyl-5-phenyl-1H-pyrazol-2-ium-3-one
SYSTEMATIC NAME: 2,2-dimethyl-5-phenyl-1H-pyrazol-2-ium-3-one
MOLECULAR FORMULA: C11H13N2O+
MOLECULAR WEIGHT: 189.23372
SMILES: C[N+]1(C(=O)C=C(N1)C2=CC=CC=C2)C
Structure:
CAS RN: 37914-50-4
CAS Name: 4-nitrobenzoic acid (2-phenyl-1H-indol-3-yl) ester
OPENEYE Name: (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate
IUPAC Name: (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate
SYSTEMATIC NAME: (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate
MOLECULAR FORMULA: C21H14N2O4
MOLECULAR WEIGHT: 358.34686
SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 1630-27-9
CAS Name: [4-[[bis(2-hydroxyethyl)-octadecylammonio]methyl]phenyl]methyl-bis(2-hydroxyethyl)-octadecylammonium
OPENEYE Name: [4-[[bis(2-hydroxyethyl)-octadecyl-ammonio]methyl]phenyl]methyl-bis(2-hydroxyethyl)-octadecyl-ammonium
IUPAC Name: [4-[[bis(2-hydroxyethyl)-octadecylazaniumyl]methyl]phenyl]methyl-bis(2-hydroxyethyl)-octadecylazanium
SYSTEMATIC NAME: [4-[[bis(2-hydroxyethyl)-octadecyl-azaniumyl]methyl]phenyl]methyl-bis(2-hydroxyethyl)-octadecyl-azanium
MOLECULAR FORMULA: C52H102N2O4+2
MOLECULAR WEIGHT: 819.37728
SMILES: CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=C(C=C1)C[N+](CCCCCCCCCCCCCCCCCC)(CCO)CCO
Structure:
CAS RN: 30043-13-1
CAS Name: 2,4-bis(4-ethoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2$l^{5},4$l^{5}-dithiadiphosphetane
OPENEYE Name: 2,4-bis(4-ethoxyphenyl)-2,4-dithioxo-1,3,2$l^{5},4$l^{5}-dithiadiphosphetane
IUPAC Name: 2,4-bis(4-ethoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2$l^{5},4$l^{5}-dithiadiphosphetane
SYSTEMATIC NAME: 2,4-bis(4-ethoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2$l^{5},4$l^{5}-dithiadiphosphetane
MOLECULAR FORMULA: C16H18O2P2S4
MOLECULAR WEIGHT: 432.520442
SMILES: CCOC1=CC=C(C=C1)P2(=S)SP(=S)(S2)C3=CC=C(C=C3)OCC
Structure:
CAS RN: 55717-75-4
CAS Name: N,3-diphenyl-5-oxatriazol-3-iumamine
OPENEYE Name: N,3-diphenyloxatriazol-3-ium-5-amine
IUPAC Name: N,3-diphenyloxatriazol-3-ium-5-amine
SYSTEMATIC NAME: N,3-diphenyl-1,2,3,4-oxatriazol-3-ium-5-amine
MOLECULAR FORMULA: C13H11N4O+
MOLECULAR WEIGHT: 239.25264
SMILES: C1=CC=C(C=C1)NC2=N[N+](=NO2)C3=CC=CC=C3
Structure:
CAS RN: 85632-83-3
CAS Name: 3-(9-methoxy-5,11-dimethyl-6-pyrido[4,3-b]carbazolyl)-1-propanamine
OPENEYE Name: 3-(9-methoxy-5,11-dimethyl-pyrido[4,3-b]carbazol-6-yl)propan-1-amine
IUPAC Name: 3-(9-methoxy-5,11-dimethylpyrido[4,3-b]carbazol-6-yl)propan-1-amine
SYSTEMATIC NAME: 3-(9-methoxy-5,11-dimethyl-pyrido[4,3-b]carbazol-6-yl)propan-1-amine
MOLECULAR FORMULA: C21H23N3O
MOLECULAR WEIGHT: 333.42682
SMILES: CC1=C2C(=C(C3=C1C=CN=C3)C)C4=C(N2CCCN)C=CC(=C4)OC
Structure:
CAS RN: 73748-75-1
CAS Name: carbamimidothioic acid (3-nitro-9H-fluoren-9-yl) ester
OPENEYE Name: 2-(3-nitro-9H-fluoren-9-yl)isothiourea
IUPAC Name: (3-nitro-9H-fluoren-9-yl) carbamimidothioate
SYSTEMATIC NAME: (3-nitro-9H-fluoren-9-yl) carbamimidothioate
MOLECULAR FORMULA: C14H11N3O2S
MOLECULAR WEIGHT: 285.32104
SMILES: C1=CC=C2C(=C1)C(C3=C2C=C(C=C3)[N+](=O)[O-])SC(=N)N
Structure:
CAS RN: 51295-50-2
CAS Name: 4-amino-N-[5-amino-4-[[3-amino-6-(aminomethyl)-4,5-dihydroxy-2-oxanyl]oxy]-3-[[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-hydroxycyclohexyl]-2-hydroxybutanamide; sulfuric acid
OPENEYE Name: 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide; sulfuric acid
IUPAC Name: 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide; sulfuric acid
SYSTEMATIC NAME: N-[4-[6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-azanyl-3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide; sulfuric acid
MOLECULAR FORMULA: C21H43N5O16S
MOLECULAR WEIGHT: 653.65502
SMILES: C1C(C(C(C(C1NC(=O)C(CCN)O)O)OC2C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CN)O)O)N)N.OS(=O)(=O)O
Structure:
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