CAS
93762-32-4 Purity
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93762-32-4 Purity
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5-(Acetylamino)-3-[(4-dodecylphenyl)azo]-4-hydroxynaphthalene-2,7-disulfonic acid
CAS
93762-37-9
Catalog Number
ACM93762379
Category
Other Products
Molecular Weight
633.775960 [g/mol]
Molecular Formula
C30H39N3O8S2
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Specification
Synonyms
EINECS 297-750-6, 5-(Acetylamino)-3-((4-dodecylphenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid, 93762-37-9
IUPAC Name
(3Z)-5-acetamido-3-[(4-dodecylphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
InChI Key
JUWZPKDGVLOVKD-XPXRSFDGSA-N
H-Bond Acceptor
10
H-Bond Donor
4
What is the molecular formula of the compound with PubChem CID 85110?
The molecular formula is C30H39N3O8S2.
What is the IUPAC name of the compound?
The IUPAC name is 5-acetamido-3-[(4-dodecylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid.
What is the computed InChI for the compound?
The computed InChI is InChI=1S/C30H39N3O8S2/c1-3-4-5-6-7-8-9-10-11-12-13-22-14-16-24(17-15-22)32-33-29-27(43(39,40)41)19-23-18-25(42(36,37)38)20-26(31-21(2)34)28(23)30(29)35/h14-20,35H,3-13H2,1-2H3,(H,31,34)(H,36,37,38)(H,39,40,41).
What is the InChIKey of the compound?
The InChIKey is AAKZHIRXVGWBRY-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CCCCCCCCCCCCC1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC(=O)C)O.
What is the CAS number of the compound?
The CAS number is 93762-37-9.
What is the European Community (EC) number of the compound?
The European Community (EC) number is 297-750-6.
What is the molecular weight of the compound?
The molecular weight is 633.8 g/mol.
How many hydrogen bond donor counts are there in the compound?
There are 4 hydrogen bond donor counts.
How many rotatable bond counts are there in the compound?
There are 16 rotatable bond counts.
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