7,12-dimethylbenzo[a]anthracene-3-sulfonic acid

Systemtic Name: 7,12-dimethylbenzo[a]anthracene-3-sulfonic acid Openeye Name: 7,12-dimethylbenzo[a]anthracene-3-sulfonic acid CAS Name: 7,12-dimethyl-3-benzo[a]anthracenesulfonic acid IUPAC Name: 7,12-dimethylbenzo[a]anthracene-3-sulfonic acid Traditional Name: 7,12-dimethylbenz[a]anthracene-3-sulfonic acid Formula: C20H16O3S MolecularWeight: 336.40424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)C=CC(=C3)S(=O)(=O)O

Isomeric SMILES

CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)C=CC(=C3)S(=O)(=O)O

InChI

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