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sodium 6,12-diacetyl-5,11-dihydroxy-1,4-dimethyl-13-oxo-8-oxatricyclo[7.4.0.0²,?]trideca-2,4,6,9,11-pentaen-3-olate

sodium 6,12-diacetyl-5,11-dihydroxy-1,4-dimethyl-13-oxo-8-oxatricyclo[7.4.0.0²,?]trideca-2,4,6,9,11-pentaen-3-olate

CAS: 34769-44-3

Formula: C18H15NaO7

SMILES: [Na+].CC(=O)C1=C2OC3=CC(O)=C(C(C)=O)C(=O)C3(C)C2=C([O-])C(C)=C1O

IUPAC: sodium 6,12-diacetyl-5,11-dihydroxy-1,4-dimethyl-13-oxo-8-oxatricyclo[7.4.0.0²,?]trideca-2,4,6,9,11-pentaen-3-olate

InChI: InChI=1/C18H16O7.Na/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24;/h5,21-23H,1-4H3;/q;+1/p-1

Composition: C (59.02%), H (4.13%), Na (6.28%), O (30.57%)

Molar Mass: 366.301

Atom Count: 41

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 366.0715471
Formal Charge 0
FSP3 0.28
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey RIDMFEXHWJXRLI-UHFFFAOYNA-M
Lipinski's Rule of Five 1
Molar Refractivity 101.2
Topological Polar Surface Area 123.96
Polarizability 32.96
Ring Count 3
Rotatable Bond Count 2

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