CAS
94349-45-8 Purity
96%
94349-45-8 Purity
96%
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4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulfonate
CAS
94349-48-1
Catalog Number
ACM94349481
Category
Other Products
Molecular Weight
382.432920 [g/mol]
Molecular Formula
C20H18N2O4S
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Specification
Synonyms
EINECS 305-166-0, CID6366543, 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate, 94349-48-1
IUPAC Name
5-(4-butylphenoxy)sulfonyl-2-diazonionaphthalen-1-olate
Canonical SMILES
CCCCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N
InChI Key
IMVRRGAJJGEOEA-UHFFFAOYSA-N
EC Number
305-166-0
Exact Mass
382.09900
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C20H18N2O4S.
What is the PubChem CID of the compound?
The PubChem CID of the compound is 6366543.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(4-butylphenoxy)sulfonyl-2-diazonionaphthalen-1-olate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C20H18N2O4S/c1-2-3-5-14-8-10-15(11-9-14)26-27(24,25)19-7-4-6-17-16(19)12-13-18(22-21)20(17)23/h4,6-13H,2-3,5H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is IMVRRGAJJGEOEA-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCCCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N.
What is the CAS number of the compound?
The CAS number of the compound is 94349-48-1.
What is the molecular weight of the compound?
The molecular weight of the compound is 382.4 g/mol.
How many hydrogen bond donor count does the compound have?
The compound has 0 hydrogen bond donor count.
How many rotatable bond count does the compound have?
The compound has 6 rotatable bond count.
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