7,12-dimethylbenzo[b]phenanthrene-10,11-disulfonic acid

Systemtic Name: 7,12-dimethylbenzo[b]phenanthrene-10,11-disulfonic acid Openeye Name: 7,12-dimethylbenzo[b]phenanthrene-10,11-disulfonic acid CAS Name: 7,12-dimethylbenzo[b]phenanthrene-10,11-disulfonic acid IUPAC Name: 7,12-dimethylbenzo[b]phenanthrene-10,11-disulfonic acid Traditional Name: 7,12-dimethylbenzo[b]phenanthrene-10,11-disulfonic acid Formula: C20H16O6S2 MolecularWeight: 416.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=C(C2=C(C3=C1C=CC4=CC=CC=C43)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C2C=CC(=C(C2=C(C3=C1C=CC4=CC=CC=C43)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H16O6S2/c1-11-14-8-7-13-5-3-4-6-16(13)18(14)12(2)19-15(11)9-10-17(27(21,22)23)20(19)28(24,25)26/h3-10H,1-2H3,(H,21,22,23)(H,24,25,26)