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6-oxo-3-[2-(6-sulfonaphthalen-2-yl)hydrazin-1-ylidene]cyclohexa-1,4-diene-1-carboxylic acid sodium

6-oxo-3-[2-(6-sulfonaphthalen-2-yl)hydrazin-1-ylidene]cyclohexa-1,4-diene-1-carboxylic acid sodium

CAS: 6054-97-3

Formula: C17H12N2NaO6S

SMILES: [Na].OC(=O)C1=CC(C=CC1=O)=NNC1=CC2=CC=C(C=C2C=C1)S(O)(=O)=O

IUPAC: 6-oxo-3-[2-(6-sulfonaphthalen-2-yl)hydrazin-1-ylidene]cyclohexa-1,4-diene-1-carboxylic acid sodium

InChI: InChI=1S/C17H12N2O6S.Na/c20-16-6-4-13(9-15(16)17(21)22)19-18-12-3-1-11-8-14(26(23,24)25)5-2-10(11)7-12;/h1-9,18H,(H,21,22)(H,23,24,25);

Composition: C (51.65%), H (3.06%), N (7.09%), Na (5.82%), O (24.28%), S (8.11%)

Molar Mass: 395.34

Atom Count: 39

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 395.03137657
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 3
InChIKey OBEUXPJTVPVSIK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.91
Topological Polar Surface Area 133.13
Polarizability 36.58
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 6054-97-3 $27.60-$492.20$27.60$492.20
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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 6054-97-3 $30.02-$575.46$30.02$39.33$122.13$575.46
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