sodium 2-benzo[a]anthracen-7-ylethyl sulfate

Systemtic Name: sodium 2-benzo[a]anthracen-7-ylethyl sulfate Openeye Name: sodium 2-benzo[a]anthracen-7-ylethyl sulfate CAS Name: sodium 2-(7-benzo[a]anthracenyl)ethyl sulfate IUPAC Name: sodium 2-benzo[a]anthracen-7-ylethyl sulfate Traditional Name: sodium 2-benz[a]anthracen-7-ylethyl sulfate Formula: C20H15NaO4S MolecularWeight: 374.38547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16O4S.Na/c21-25(22,23)24-12-11-19-17-8-4-2-6-15(17)13-20-16-7-3-1-5-14(16)9-10-18(19)20;/h1-10,13H,11-12H2,(H,21,22,23);/q;+1/p-1