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7,12-dimethylbenzo[a]anthracene-5,10-disulfonic acid

7,12-dimethylbenzo[a]anthracene-5,10-disulfonic acid

Systemtic Name:7,12-dimethylbenzo[a]anthracene-5,10-disulfonic acid
Openeye Name:7,12-dimethylbenzo[a]anthracene-5,10-disulfonic acid
CAS Name:7,12-dimethylbenzo[a]anthracene-5,10-disulfonic acid
IUPAC Name:7,12-dimethylbenzo[a]anthracene-5,10-disulfonic acid
Traditional Name:7,12-dimethylbenz[a]anthracene-5,10-disulfonic acid
Formula: C20H16O6S2
MolecularWeight: 416.46744
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C3=CC=CC=C3C2=C(C4=C1C=CC(=C4)S(=O)(=O)O)C)S(=O)(=O)O


Isomeric SMILES

CC1=C2C=C(C3=CC=CC=C3C2=C(C4=C1C=CC(=C4)S(=O)(=O)O)C)S(=O)(=O)O


InChI

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


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