sodium (7-methylbenzo[a]anthracen-12-yl)methanol sulfate

Systemtic Name: sodium (7-methylbenzo[a]anthracen-12-yl)methanol sulfate Openeye Name: sodium (7-methylbenzo[a]anthracen-12-yl)methanol sulfate CAS Name: sodium (7-methyl-12-benzo[a]anthracenyl)methanol sulfate IUPAC Name: sodium (7-methylbenzo[a]anthracen-12-yl)methanol sulfate Traditional Name: sodium (7-methylbenz[a]anthracen-12-yl)methanol sulfate Formula: C20H16NaO5S- MolecularWeight: 391.39281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16O.Na.H2O4S/c1-13-15-7-4-5-9-18(15)19(12-21)20-16(13)11-10-14-6-2-3-8-17(14)20;;1-5(2,3)4/h2-11,21H,12H2,1H3;;(H2,1,2,3,4)/q;+1;/p-2