CAS RN: 38128-97-1
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H51N3O12
MOLECULAR WEIGHT: 813.88864
SMILES: CC1/C=C/C=C(/C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=C5NC6=CC=CC=C6N5)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 22912-87-4
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H61N3O13
MOLECULAR WEIGHT: 851.97814
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOCCN5CCCCC5)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
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CAS RN: 38128-86-8
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H56N2O13
MOLECULAR WEIGHT: 844.94244
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOCCC5=CC=CC=C5)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 21664-78-8
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H60N2O13
MOLECULAR WEIGHT: 848.9742
SMILES: CCCN1C(=C(C2=C1C3=C4C(=C(C5=C3C(=O)C(O5)(O/C=C/C(C(C(C(C(C(C(C(/C=C\C=C(\C(=O)NC2=C4O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)C(=O)OCC)C
Structure:
CAS RN: 7150-63-2
CAS Name: (E)-1-(2,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-nonen-3-one
OPENEYE Name: (E)-1-(2,4-dichlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-one
IUPAC Name: (E)-1-(2,4-dichlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-one
SYSTEMATIC NAME: (E)-1-(2,4-dichlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-one
MOLECULAR FORMULA: C18H25Cl2NO
MOLECULAR WEIGHT: 342.3032
SMILES: CCCCCC(CN(C)C)C(=O)/C=C/C1=C(C=C(C=C1)Cl)Cl
Structure:
CAS RN: 16062-88-7
CAS Name: (E)-4-butoxy-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-butoxy-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-butoxy-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-butoxy-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: CCCCOC(=O)/C=C/C(=O)O
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CAS RN: 5064-89-1
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H46O9
MOLECULAR WEIGHT: 670.78784
SMILES: CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2OC(=O)C)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)C/C=C(/C)\C(=O)O)CC=C(C)C)C)C
Structure:
CAS RN: 13292-47-2
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H66N4O12
MOLECULAR WEIGHT: 927.08934
SMILES: CC1CN(CC(N1N/C=C\2/C3=C(C4=C(C(=C5C(=C4C2=O)C(=O)C(O5)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(/C(=O)N3)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C)CC6=CC=CC=C6
Structure:
CAS RN: 35865-33-9
CAS Name: (E)-8-[7-hydroxy-3-[3-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-oxanyl]-7-[(5-methoxy-6-methyl-2-oxanyl)oxy]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxo-6-nonenoic acid
OPENEYE Name: (E)-8-[7-hydroxy-3-[3-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-7-(5-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxo-non-6-enoi
IUPAC Name: (E)-8-[7-hydroxy-3-[3-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-7-(5-methoxy-6-methyloxan-2-yl)oxy-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid
SYSTEMATIC NAME: (E)-8-[3-[3-[6-(hydroxymethyl)-3,5-dimethyl-6-oxidanyl-oxan-2-yl]-7-(5-methoxy-6-methyl-oxan-2-yl)oxy-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-7-oxidanyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxidanylidene-non-6-enoic acid
MOLECULAR FORMULA: C47H78O14
MOLECULAR WEIGHT: 867.11382
SMILES: CC1CC(C(OC1C2CC(C3(O2)C(C(CC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)/C=C(\C)/C(=O)C(C)CC(C)C(=O)O)C)O)C)OC6CCC(C(O6)C)OC)C)C)(CO)O)C
Structure:
CAS RN: 30511-63-8
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IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H33NO9
MOLECULAR WEIGHT: 539.57362
SMILES: COC1C(CC23CCNC24C1(OC(C4)C5=C3C(=C(C=C5)OC)O)OC)OC(=O)/C=C/C6=CC(=C(C=C6)OC)O
Structure:
CAS RN: 92965-02-1
CAS Name: 2-[2-[(E)-2-carboxyethenyl]phenyl]benzoic acid
OPENEYE Name: 2-[2-[(E)-2-carboxyvinyl]phenyl]benzoic acid
IUPAC Name: 2-[2-[(E)-2-carboxyethenyl]phenyl]benzoic acid
SYSTEMATIC NAME: 2-[2-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]benzoic acid
MOLECULAR FORMULA: C16H12O4
MOLECULAR WEIGHT: 268.26408
SMILES: C1=CC=C(C(=C1)/C=C/C(=O)O)C2=CC=CC=C2C(=O)O
Structure:
CAS RN: 16375-56-7
CAS Name: 4-[(E)-2-(1-naphthalenyl)ethenyl]pyridine
OPENEYE Name: 4-[(E)-2-(1-naphthyl)vinyl]pyridine
IUPAC Name: 4-[(E)-2-naphthalen-1-ylethenyl]pyridine
SYSTEMATIC NAME: 4-[(E)-2-naphthalen-1-ylethenyl]pyridine
MOLECULAR FORMULA: C17H13N
MOLECULAR WEIGHT: 231.29182
SMILES: C1=CC=C2C(=C1)C=CC=C2/C=C/C3=CC=NC=C3
Structure:
CAS RN: 13545-47-6
CAS Name: N-cyclohexylcyclohexanamine; 2-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-3-[(triphenylmethyl)thio]propanoic acid
OPENEYE Name: N-cyclohexylcyclohexanamine; 2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-tritylsulfanyl-propanoic acid
IUPAC Name: N-cyclohexylcyclohexanamine; 2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-tritylsulfanylpropanoic acid
SYSTEMATIC NAME: N-cyclohexylcyclohexanamine; 2-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-(triphenylmethyl)sulfanyl-propanoic acid
MOLECULAR FORMULA: C41H48N2O3S
MOLECULAR WEIGHT: 648.89642
SMILES: C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N/C=C\4/C=CC=CC4=O
Structure:
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