CAS RN: 41885-83-0
CAS Name: formic acid 1-phenylpropyl ester
OPENEYE Name: 1-phenylpropyl formate
IUPAC Name: 1-phenylpropyl formate
SYSTEMATIC NAME: 1-phenylpropyl methanoate
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CCC(C1=CC=CC=C1)OC=O
Structure:
CAS RN: 16932-25-5
CAS Name: propanoic acid (4-chlorophenyl)methyl ester
OPENEYE Name: (4-chlorophenyl)methyl propanoate
IUPAC Name: (4-chlorophenyl)methyl propanoate
SYSTEMATIC NAME: (4-chlorophenyl)methyl propanoate
MOLECULAR FORMULA: C10H11ClO2
MOLECULAR WEIGHT: 198.64614
SMILES: CCC(=O)OCC1=CC=C(C=C1)Cl
Structure:
CAS RN: 30740-24-0
CAS Name: 2-methylpropanoic acid (4-chlorophenyl)methyl ester
OPENEYE Name: (4-chlorophenyl)methyl 2-methylpropanoate
IUPAC Name: (4-chlorophenyl)methyl 2-methylpropanoate
SYSTEMATIC NAME: (4-chlorophenyl)methyl 2-methylpropanoate
MOLECULAR FORMULA: C11H13ClO2
MOLECULAR WEIGHT: 212.67272
SMILES: CC(C)C(=O)OCC1=CC=C(C=C1)Cl
Structure:
CAS RN: 958-06-5
CAS Name: acetic acid [(4-chlorophenyl)-phenylmethyl] ester
OPENEYE Name: [(4-chlorophenyl)-phenyl-methyl] acetate
IUPAC Name: [(4-chlorophenyl)-phenylmethyl] acetate
SYSTEMATIC NAME: [(4-chlorophenyl)-phenyl-methyl] ethanoate
MOLECULAR FORMULA: C15H13ClO2
MOLECULAR WEIGHT: 260.71552
SMILES: CC(=O)OC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 38513-66-5
CAS Name: acetic acid [(4-methoxyphenyl)-phenylmethyl] ester
OPENEYE Name: [(4-methoxyphenyl)-phenyl-methyl] acetate
IUPAC Name: [(4-methoxyphenyl)-phenylmethyl] acetate
SYSTEMATIC NAME: [(4-methoxyphenyl)-phenyl-methyl] ethanoate
MOLECULAR FORMULA: C16H16O3
MOLECULAR WEIGHT: 256.29644
SMILES: CC(=O)OC(C1=CC=CC=C1)C2=CC=C(C=C2)OC
Structure:
CAS RN: 7381-35-3
CAS Name: 2-phenylacetic acid [1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl] ester
OPENEYE Name: [1-(1,3-benzodioxol-5-yl)-2,2-dimethyl-propyl] 2-phenylacetate
IUPAC Name: [1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl] 2-phenylacetate
SYSTEMATIC NAME: [1-(1,3-benzodioxol-5-yl)-2,2-dimethyl-propyl] 2-phenylethanoate
MOLECULAR FORMULA: C20H22O4
MOLECULAR WEIGHT: 326.38628
SMILES: CC(C)(C)C(C1=CC2=C(C=C1)OCO2)OC(=O)CC3=CC=CC=C3
Structure:
CAS RN: 6052-58-0
CAS Name: 1-(2,3-dimethoxyphenyl)-3-buten-1-ol
OPENEYE Name: 1-(2,3-dimethoxyphenyl)but-3-en-1-ol
IUPAC Name: 1-(2,3-dimethoxyphenyl)but-3-en-1-ol
SYSTEMATIC NAME: 1-(2,3-dimethoxyphenyl)but-3-en-1-ol
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: COC1=CC=CC(=C1OC)C(CC=C)O
Structure:
CAS RN: 7461-07-6
CAS Name: 2,2-dimethylpropanoic acid 2-oxolanylmethyl ester
OPENEYE Name: tetrahydrofuran-2-ylmethyl 2,2-dimethylpropanoate
IUPAC Name: oxolan-2-ylmethyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: oxolan-2-ylmethyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C10H18O3
MOLECULAR WEIGHT: 186.24812
SMILES: CC(C)(C)C(=O)OCC1CCCO1
Structure:
CAS RN: 85377-07-7
CAS Name: 4-(1,3-dioxolan-2-yl)-2-methoxyphenol
OPENEYE Name: 4-(1,3-dioxolan-2-yl)-2-methoxy-phenol
IUPAC Name: 4-(1,3-dioxolan-2-yl)-2-methoxyphenol
SYSTEMATIC NAME: 4-(1,3-dioxolan-2-yl)-2-methoxy-phenol
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: COC1=C(C=CC(=C1)C2OCCO2)O
Structure:
CAS RN: 7461-06-5
CAS Name: 5-(5-ethyl-5-nitro-1,3-dioxan-2-yl)-1,3-benzodioxole
OPENEYE Name: 5-(5-ethyl-5-nitro-1,3-dioxan-2-yl)-1,3-benzodioxole
IUPAC Name: 5-(5-ethyl-5-nitro-1,3-dioxan-2-yl)-1,3-benzodioxole
SYSTEMATIC NAME: 5-(5-ethyl-5-nitro-1,3-dioxan-2-yl)-1,3-benzodioxole
MOLECULAR FORMULA: C13H15NO6
MOLECULAR WEIGHT: 281.2613
SMILES: CCC1(COC(OC1)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]
Structure:
CAS RN: 16409-26-0
CAS Name: 1-(1,3-benzodioxol-5-yl)-4-phenyl-1-butanol
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-4-phenyl-butan-1-ol
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-phenylbutan-1-ol
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-4-phenyl-butan-1-ol
MOLECULAR FORMULA: C17H18O3
MOLECULAR WEIGHT: 270.32302
SMILES: C1OC2=C(O1)C=C(C=C2)C(CCCC3=CC=CC=C3)O
Structure:
CAS RN: 1805-77-2
CAS Name: 1,3,8,9-tetramethoxy-6-benzofuro[3,2-c][1]benzopyranone
OPENEYE Name: 1,3,8,9-tetramethoxybenzofuro[3,2-c]chromen-6-one
IUPAC Name: 1,3,8,9-tetramethoxy-[1]benzofuro[3,2-c]chromen-6-one
SYSTEMATIC NAME: 1,3,8,9-tetramethoxy-[1]benzofuro[3,2-c]chromen-6-one
MOLECULAR FORMULA: C19H16O7
MOLECULAR WEIGHT: 356.32614
SMILES: COC1=CC(=C2C(=C1)OC(=O)C3=C2OC4=CC(=C(C=C43)OC)OC)OC
Structure:
CAS RN: 531-44-2
CAS Name: 6-methoxy-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one
OPENEYE Name: 6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
IUPAC Name: 6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
SYSTEMATIC NAME: 7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methoxy-chromen-2-one
MOLECULAR FORMULA: C16H18O9
MOLECULAR WEIGHT: 354.30872
SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O
Structure:
CAS RN: 7461-03-2
CAS Name: 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
OPENEYE Name: 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
IUPAC Name: 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
SYSTEMATIC NAME: 5-(3,4,5-trimethoxyphenyl)-4,8,10,10a-tetrahydro-3aH-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
MOLECULAR FORMULA: C22H22O7
MOLECULAR WEIGHT: 398.40588
SMILES: COC1=CC(=CC(=C1OC)OC)C2=C3C(=CC4=C2CC5C(C4)OCO5)COC3=O
Structure:
CAS RN: 4998-58-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22O4
MOLECULAR WEIGHT: 314.37558
SMILES: COC1=CC2=C(C=C1)C3=C(C(=C(C=C3CCC2)OC)OC)OC
Structure:
CAS RN: 7461-01-0
CAS Name: 2-(3-chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(3-chloroanilino)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(3-chloroanilino)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-[(3-chlorophenyl)amino]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H14ClNO4
MOLECULAR WEIGHT: 259.68616
SMILES: C1=CC(=CC(=C1)Cl)NC2C(C(C(O2)CO)O)O
Structure:
CAS RN: 26598-27-6
CAS Name: N,N-dipentylformamide
OPENEYE Name: N,N-dipentylformamide
IUPAC Name: N,N-dipentylformamide
SYSTEMATIC NAME: N,N-dipentylmethanamide
MOLECULAR FORMULA: C11H23NO
MOLECULAR WEIGHT: 185.30642
SMILES: CCCCCN(CCCCC)C=O
Structure:
CAS RN: 59734-19-9
CAS Name: N-pentan-2-ylformamide
OPENEYE Name: N-(1-methylbutyl)formamide
IUPAC Name: N-pentan-2-ylformamide
SYSTEMATIC NAME: N-pentan-2-ylmethanamide
MOLECULAR FORMULA: C6H13NO
MOLECULAR WEIGHT: 115.17352
SMILES: CCCC(C)NC=O
Structure:
CAS RN: 53798-89-3
CAS Name: N-butan-2-ylformamide
OPENEYE Name: N-sec-butylformamide
IUPAC Name: N-butan-2-ylformamide
SYSTEMATIC NAME: N-butan-2-ylmethanamide
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: CCC(C)NC=O
Structure:
CAS RN: 91369-31-2
CAS Name: 3-chloropropanoic acid 2-ethylhexyl ester
OPENEYE Name: 2-ethylhexyl 3-chloropropanoate
IUPAC Name: 2-ethylhexyl 3-chloropropanoate
SYSTEMATIC NAME: 2-ethylhexyl 3-chloranylpropanoate
MOLECULAR FORMULA: C11H21ClO2
MOLECULAR WEIGHT: 220.73624
SMILES: CCCCC(CC)COC(=O)CCCl
Structure:
CAS RN: 91369-32-3
CAS Name: 3-chloropropanoic acid octan-2-yl ester
OPENEYE Name: 1-methylheptyl 3-chloropropanoate
IUPAC Name: octan-2-yl 3-chloropropanoate
SYSTEMATIC NAME: octan-2-yl 3-chloranylpropanoate
MOLECULAR FORMULA: C11H21ClO2
MOLECULAR WEIGHT: 220.73624
SMILES: CCCCCCC(C)OC(=O)CCCl
Structure:
CAS RN: 91883-25-9
CAS Name: 3-chloropropanoic acid (4-propan-2-ylcyclohexyl) ester
OPENEYE Name: (4-isopropylcyclohexyl) 3-chloropropanoate
IUPAC Name: (4-propan-2-ylcyclohexyl) 3-chloropropanoate
SYSTEMATIC NAME: (4-propan-2-ylcyclohexyl) 3-chloranylpropanoate
MOLECULAR FORMULA: C12H21ClO2
MOLECULAR WEIGHT: 232.74694
SMILES: CC(C)C1CCC(CC1)OC(=O)CCCl
Structure:
CAS RN: 50343-50-5
CAS Name: 3-chloropropanoic acid 5-(3-chloro-1-oxopropoxy)pentyl ester
OPENEYE Name: 5-(3-chloropropanoyloxy)pentyl 3-chloropropanoate
IUPAC Name: 5-(3-chloropropanoyloxy)pentyl 3-chloropropanoate
SYSTEMATIC NAME: 5-(3-chloranylpropanoyloxy)pentyl 3-chloranylpropanoate
MOLECULAR FORMULA: C11H18Cl2O4
MOLECULAR WEIGHT: 285.16422
SMILES: C(CCOC(=O)CCCl)CCOC(=O)CCCl
Structure:
CAS RN: 90948-74-6
CAS Name: 3-chloropropanoic acid 2-methylpentyl ester
OPENEYE Name: 2-methylpentyl 3-chloropropanoate
IUPAC Name: 2-methylpentyl 3-chloropropanoate
SYSTEMATIC NAME: 2-methylpentyl 3-chloranylpropanoate
MOLECULAR FORMULA: C9H17ClO2
MOLECULAR WEIGHT: 192.68308
SMILES: CCCC(C)COC(=O)CCCl
Structure:
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