disodium benzo[a]anthracen-7-ylmethanol sulfate

Systemtic Name: disodium benzo[a]anthracen-7-ylmethanol sulfate Openeye Name: disodium benzo[a]anthracen-7-ylmethanol sulfate CAS Name: disodium 7-benzo[a]anthracenylmethanol sulfate IUPAC Name: disodium benzo[a]anthracen-7-ylmethanol sulfate Traditional Name: disodium benz[a]anthracen-7-ylmethanol sulfate Formula: C38H28Na2O6S MolecularWeight: 658.66986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)CO.C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)CO.[O-]S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)CO.C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)CO.[O-]S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C19H14O.2Na.H2O4S/c2*20-12-19-16-8-4-2-6-14(16)11-18-15-7-3-1-5-13(15)9-10-17(18)19;;;1-5(2,3)4/h2*1-11,20H,12H2;;;(H2,1,2,3,4)/q;;2*+1;/p-2