7,12-dimethylbenzo[a]anthracene-11-sulfonic acid

Systemtic Name: 7,12-dimethylbenzo[a]anthracene-11-sulfonic acid Openeye Name: 7,12-dimethylbenzo[a]anthracene-11-sulfonic acid CAS Name: 7,12-dimethyl-11-benzo[a]anthracenesulfonic acid IUPAC Name: 7,12-dimethylbenzo[a]anthracene-11-sulfonic acid Traditional Name: 7,12-dimethylbenz[a]anthracene-11-sulfonic acid Formula: C20H16O3S MolecularWeight: 336.40424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=CC=CC=C3C2=C(C4=C1C=CC=C4S(=O)(=O)O)C

Isomeric SMILES

CC1=C2C=CC3=CC=CC=C3C2=C(C4=C1C=CC=C4S(=O)(=O)O)C

InChI

InChI=1S/C20H16O3S/c1-12-15-8-5-9-18(24(21,22)23)20(15)13(2)19-16(12)11-10-14-6-3-4-7-17(14)19/h3-11H,1-2H3,(H,21,22,23)