CAS RN: 13177-38-3
CAS Name: 1-cyclopenta-2,4-dienone
OPENEYE Name: cyclopenta-2,4-dien-1-one
IUPAC Name: cyclopenta-2,4-dien-1-one
SYSTEMATIC NAME: cyclopenta-2,4-dien-1-one
MOLECULAR FORMULA: C5H4O
MOLECULAR WEIGHT: 80.08466
SMILES: C1=CC(=O)C=C1
Structure:
CAS RN: 13169-01-2
CAS Name: 1-methoxy-1-propyne
OPENEYE Name: 1-methoxyprop-1-yne
IUPAC Name: 1-methoxyprop-1-yne
SYSTEMATIC NAME: 1-methoxyprop-1-yne
MOLECULAR FORMULA: C4H6O
MOLECULAR WEIGHT: 70.08984
SMILES: CC#COC
Structure:
CAS RN: 13169-00-1
CAS Name: 1-methoxypropa-1,2-diene
OPENEYE Name: 1-methoxyallene
IUPAC Name: 1-methoxypropa-1,2-diene
SYSTEMATIC NAME: 1-methoxypropa-1,2-diene
MOLECULAR FORMULA: C4H6O
MOLECULAR WEIGHT: 70.08984
SMILES: COC=C=C
Structure:
CAS RN: 13157-38-5
CAS Name: 2-(4-oxo-1,3-dithietan-2-ylidene)propanedinitrile
OPENEYE Name: 2-(4-oxo-1,3-dithietan-2-ylidene)propanedinitrile
IUPAC Name: 2-(4-oxo-1,3-dithietan-2-ylidene)propanedinitrile
SYSTEMATIC NAME: 2-(4-oxidanylidene-1,3-dithietan-2-ylidene)propanedinitrile
MOLECULAR FORMULA: C5N2OS2
MOLECULAR WEIGHT: 168.1963
SMILES: C(#N)C(=C1SC(=O)S1)C#N
Structure:
CAS RN: 13156-75-7
CAS Name: N,N-dimethyl-2-furancarboxamide
OPENEYE Name: N,N-dimethylfuran-2-carboxamide
IUPAC Name: N,N-dimethylfuran-2-carboxamide
SYSTEMATIC NAME: N,N-dimethylfuran-2-carboxamide
MOLECULAR FORMULA: C7H9NO2
MOLECULAR WEIGHT: 139.15186
SMILES: CN(C)C(=O)C1=CC=CO1
Structure:
CAS RN: 13154-24-0
CAS Name: chloro-tri(propan-2-yl)silane
OPENEYE Name: chloro(triisopropyl)silane
IUPAC Name: chloro-tri(propan-2-yl)silane
SYSTEMATIC NAME: chloranyl-tri(propan-2-yl)silane
MOLECULAR FORMULA: C9H21ClSi
MOLECULAR WEIGHT: 192.80154
SMILES: CC(C)[Si](C(C)C)(C(C)C)Cl
Structure:
CAS RN: 13151-55-8
CAS Name: ethylcycloheptane
OPENEYE Name: ethylcycloheptane
IUPAC Name: ethylcycloheptane
SYSTEMATIC NAME: ethylcycloheptane
MOLECULAR FORMULA: C9H18
MOLECULAR WEIGHT: 126.23922
SMILES: CCC1CCCCCC1
Structure:
CAS RN: 13151-53-6
CAS Name: 1,3-dimethylcycloheptane
OPENEYE Name: 1,3-dimethylcycloheptane
IUPAC Name: 1,3-dimethylcycloheptane
SYSTEMATIC NAME: 1,3-dimethylcycloheptane
MOLECULAR FORMULA: C9H18
MOLECULAR WEIGHT: 126.23922
SMILES: CC1CCCCC(C1)C
Structure:
CAS RN: 13151-50-3
CAS Name: 1,2-dimethylcycloheptane
OPENEYE Name: 1,2-dimethylcycloheptane
IUPAC Name: 1,2-dimethylcycloheptane
SYSTEMATIC NAME: 1,2-dimethylcycloheptane
MOLECULAR FORMULA: C9H18
MOLECULAR WEIGHT: 126.23922
SMILES: CC1CCCCCC1C
Structure:
CAS RN: 13151-51-4
CAS Name: 1,2-dimethylcycloheptane
OPENEYE Name: 1,2-dimethylcycloheptane
IUPAC Name: 1,2-dimethylcycloheptane
SYSTEMATIC NAME: 1,2-dimethylcycloheptane
MOLECULAR FORMULA: C9H18
MOLECULAR WEIGHT: 126.23922
SMILES: CC1CCCCCC1C
Structure:
CAS RN: 13150-81-7
CAS Name: 2,6-dimethyldecane
OPENEYE Name: 2,6-dimethyldecane
IUPAC Name: 2,6-dimethyldecane
SYSTEMATIC NAME: 2,6-dimethyldecane
MOLECULAR FORMULA: C12H26
MOLECULAR WEIGHT: 170.33484
SMILES: CCCCC(C)CCCC(C)C
Structure:
CAS RN: 13145-46-5
CAS Name: 1,4,6,9-tetrathiaspiro[4.4]nonane
OPENEYE Name: 1,4,6,9-tetrathiaspiro[4.4]nonane
IUPAC Name: 1,4,6,9-tetrathiaspiro[4.4]nonane
SYSTEMATIC NAME: 1,4,6,9-tetrathiaspiro[4.4]nonane
MOLECULAR FORMULA: C5H8S4
MOLECULAR WEIGHT: 196.37702
SMILES: C1CSC2(S1)SCCS2
Structure:
CAS RN: 13141-45-2
CAS Name: 4-phenylbut-1-en-3-ynylbenzene
OPENEYE Name: 4-phenylbut-1-en-3-ynylbenzene
IUPAC Name: 4-phenylbut-1-en-3-ynylbenzene
SYSTEMATIC NAME: 4-phenylbut-1-en-3-ynylbenzene
MOLECULAR FORMULA: C16H12
MOLECULAR WEIGHT: 204.26648
SMILES: C1=CC=C(C=C1)C=CC#CC2=CC=CC=C2
Structure:
CAS RN: 13140-34-6
CAS Name: 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid methyl ester
OPENEYE Name: methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
IUPAC Name: methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
SYSTEMATIC NAME: methyl 2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoate
MOLECULAR FORMULA: C7H3F11O3
MOLECULAR WEIGHT: 344.079355
SMILES: COC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
Structure:
CAS RN: 13132-15-5
CAS Name: 2-(phenylmethyl)thiophene
OPENEYE Name: 2-benzylthiophene
IUPAC Name: 2-benzylthiophene
SYSTEMATIC NAME: 2-(phenylmethyl)thiophene
MOLECULAR FORMULA: C11H10S
MOLECULAR WEIGHT: 174.2621
SMILES: C1=CC=C(C=C1)CC2=CC=CS2
Structure:
CAS RN: 13130-19-3
CAS Name: 1,2,3,4-tetrahydrodibenzofuran
OPENEYE Name: 1,2,3,4-tetrahydrodibenzofuran
IUPAC Name: 1,2,3,4-tetrahydrodibenzofuran
SYSTEMATIC NAME: 1,2,3,4-tetrahydrodibenzofuran
MOLECULAR FORMULA: C12H12O
MOLECULAR WEIGHT: 172.22308
SMILES: C1CCC2=C(C1)C3=CC=CC=C3O2
Structure:
CAS RN: 13129-38-9
CAS Name: 2-(methylthio)furan
OPENEYE Name: 2-methylsulfanylfuran
IUPAC Name: 2-methylsulfanylfuran
SYSTEMATIC NAME: 2-methylsulfanylfuran
MOLECULAR FORMULA: C5H6OS
MOLECULAR WEIGHT: 114.16554
SMILES: CSC1=CC=CO1
Structure:
CAS RN: 13120-03-1
CAS Name: N,N-dimethylbenzenecarboselenoamide
OPENEYE Name: N,N-dimethylbenzenecarboselenoamide
IUPAC Name: N,N-dimethylbenzenecarboselenoamide
SYSTEMATIC NAME: N,N-dimethylbenzenecarboselenoamide
MOLECULAR FORMULA: C9H11NSe
MOLECULAR WEIGHT: 212.15034
SMILES: CN(C)C(=[Se])C1=CC=CC=C1
Structure:
CAS RN: 13114-93-7
CAS Name: (2-iodophenyl)urea
OPENEYE Name: (2-iodophenyl)urea
IUPAC Name: (2-iodophenyl)urea
SYSTEMATIC NAME: 1-(2-iodanylphenyl)urea
MOLECULAR FORMULA: C7H7IN2O
MOLECULAR WEIGHT: 262.04775
SMILES: C1=CC=C(C(=C1)NC(=O)N)I
Structure:
CAS RN: 13114-90-4
CAS Name: (2-bromophenyl)urea
OPENEYE Name: (2-bromophenyl)urea
IUPAC Name: (2-bromophenyl)urea
SYSTEMATIC NAME: 1-(2-bromophenyl)urea
MOLECULAR FORMULA: C7H7BrN2O
MOLECULAR WEIGHT: 215.04728
SMILES: C1=CC=C(C(=C1)NC(=O)N)Br
Structure:
CAS RN: 13092-49-4
CAS Name: 4-[4-(hydrazinecarbonyl)phenoxy]benzohydrazide
OPENEYE Name: 4-[4-(hydrazinecarbonyl)phenoxy]benzohydrazide
IUPAC Name: 4-[4-(hydrazinecarbonyl)phenoxy]benzohydrazide
SYSTEMATIC NAME: 4-[4-(aminocarbamoyl)phenoxy]benzohydrazide
MOLECULAR FORMULA: C14H14N4O3
MOLECULAR WEIGHT: 286.28596
SMILES: C1=CC(=CC=C1C(=O)NN)OC2=CC=C(C=C2)C(=O)NN
Structure:
CAS RN: 13090-49-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H4S3
MOLECULAR WEIGHT: 196.31236
SMILES: C1=C2C3=CSC=C3SC2=CS1
Structure:
CAS RN: 13090-26-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H12N4
MOLECULAR WEIGHT: 284.31468
SMILES: C1=CC=C2C(=C1)C=CC3=NN4C(=NN32)C=CC5=CC=CC=C54
Structure:
CAS RN: 13084-56-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H10
MOLECULAR WEIGHT: 118.1757
SMILES: C1C2C3C4C1C5C2C5C34
Structure:
CAS RN: 13078-79-0
CAS Name: 2-(3-chlorophenyl)ethanamine
OPENEYE Name: 2-(3-chlorophenyl)ethanamine
IUPAC Name: 2-(3-chlorophenyl)ethanamine
SYSTEMATIC NAME: 2-(3-chlorophenyl)ethanamine
MOLECULAR FORMULA: C8H10ClN
MOLECULAR WEIGHT: 155.6247
SMILES: C1=CC(=CC(=C1)Cl)CCN
Structure:
CAS RN: 13077-54-8
CAS Name: chloro-fluoro-trimethylstiborane
OPENEYE Name: chloro-fluoro-trimethyl-$l^{5}-stibane
IUPAC Name: chloro-fluoro-trimethyl-$l^{5}-stibane
SYSTEMATIC NAME: chloranyl-fluoranyl-trimethyl-$l^{5}-stibane
MOLECULAR FORMULA: C3H9ClFSb
MOLECULAR WEIGHT: 221.314963
SMILES: C[Sb](C)(C)(F)Cl
Structure:
CAS RN: 13077-53-7
CAS Name: diiodo(trimethyl)stiborane
OPENEYE Name: diiodo(trimethyl)-$l^{5}-stibane
IUPAC Name: diiodo(trimethyl)-$l^{5}-stibane
SYSTEMATIC NAME: bis(iodanyl)-trimethyl-$l^{5}-stibane
MOLECULAR FORMULA: C3H9I2Sb
MOLECULAR WEIGHT: 420.6725
SMILES: C[Sb](C)(C)(I)I
Structure:
CAS RN: 13061-96-6
CAS Name: methylboronic acid
OPENEYE Name: methylboronic acid
IUPAC Name: methylboronic acid
SYSTEMATIC NAME: methylboronic acid
MOLECULAR FORMULA: CH5BO2
MOLECULAR WEIGHT: 59.8602
SMILES: B(C)(O)O
Structure:
CAS RN: 13057-19-7
CAS Name: iodo(methoxy)methane
OPENEYE Name: iodo(methoxy)methane
IUPAC Name: iodo(methoxy)methane
SYSTEMATIC NAME: iodanyl(methoxy)methane
MOLECULAR FORMULA: C2H5IO
MOLECULAR WEIGHT: 171.96497
SMILES: COCI
Structure:
CAS RN: 13048-17-4
CAS Name: 1-cyclohex-2-enecarbonitrile
OPENEYE Name: cyclohex-2-ene-1-carbonitrile
IUPAC Name: cyclohex-2-ene-1-carbonitrile
SYSTEMATIC NAME: cyclohex-2-ene-1-carbonitrile
MOLECULAR FORMULA: C7H9N
MOLECULAR WEIGHT: 107.15306
SMILES: C1CC=CC(C1)C#N
Structure:
CAS RN: 13046-50-9
CAS Name: 1,1,2,2-tetrakis(methylthio)ethene
OPENEYE Name: 1,1,2,2-tetrakis(methylsulfanyl)ethylene
IUPAC Name: 1,1,2,2-tetrakis(methylsulfanyl)ethene
SYSTEMATIC NAME: 1,1,2,2-tetrakis(methylsulfanyl)ethene
MOLECULAR FORMULA: C6H12S4
MOLECULAR WEIGHT: 212.41948
SMILES: CSC(=C(SC)SC)SC
Structure:
CAS RN: 13044-51-4
CAS Name: N,N-dimethyl-1-cyclopent-2-enamine
OPENEYE Name: N,N-dimethylcyclopent-2-en-1-amine
IUPAC Name: N,N-dimethylcyclopent-2-en-1-amine
SYSTEMATIC NAME: N,N-dimethylcyclopent-2-en-1-amine
MOLECULAR FORMULA: C7H13N
MOLECULAR WEIGHT: 111.18482
SMILES: CN(C)C1CCC=C1
Structure:
CAS RN: 13042-79-0
CAS Name: 6-methyl-3,4-dihydro-2H-thiopyran
OPENEYE Name: 6-methyl-3,4-dihydro-2H-thiopyran
IUPAC Name: 6-methyl-3,4-dihydro-2H-thiopyran
SYSTEMATIC NAME: 6-methyl-3,4-dihydro-2H-thiopyran
MOLECULAR FORMULA: C6H10S
MOLECULAR WEIGHT: 114.2086
SMILES: CC1=CCCCS1
Structure:
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