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sodium 7-methylbenzo[a]anthracen-12-ol sulfate

sodium 7-methylbenzo[a]anthracen-12-ol sulfate

Systemtic Name:sodium 7-methylbenzo[a]anthracen-12-ol sulfate
Openeye Name:sodium 7-methylbenzo[a]anthracen-12-ol sulfate
CAS Name:sodium 7-methyl-12-benzo[a]anthracenol sulfate
IUPAC Name:sodium 7-methylbenzo[a]anthracen-12-ol sulfate
Traditional Name:sodium 7-methylbenz[a]anthracen-12-ol sulfate
Formula: C19H14NaO5S-
MolecularWeight: 377.36623
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)O.[O-]S(=O)(=O)[O-].[Na+]


Isomeric SMILES

CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)O.[O-]S(=O)(=O)[O-].[Na+]


InChI

InChI=1S/C19H14O.Na.H2O4S/c1-12-14-7-4-5-9-17(14)19(20)18-15(12)11-10-13-6-2-3-8-16(13)18;;1-5(2,3)4/h2-11,20H,1H3;;(H2,1,2,3,4)/q;+1;/p-2


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