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

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)


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