7,12-dimethylbenzo[a]anthracene-10-sulfonic acid

Systemtic Name: 7,12-dimethylbenzo[a]anthracene-10-sulfonic acid Openeye Name: 7,12-dimethylbenzo[a]anthracene-10-sulfonic acid CAS Name: 7,12-dimethyl-10-benzo[a]anthracenesulfonic acid IUPAC Name: 7,12-dimethylbenzo[a]anthracene-10-sulfonic acid Traditional Name: 7,12-dimethylbenz[a]anthracene-10-sulfonic acid Formula: C20H16O3S MolecularWeight: 336.40424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=CC2=C(C3=C1C=CC4=CC=CC=C43)C)S(=O)(=O)O

Isomeric SMILES

CC1=C2C=CC(=CC2=C(C3=C1C=CC4=CC=CC=C43)C)S(=O)(=O)O

InChI

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