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7,12-dimethylbenzo[a]anthracene-1,9-disulfonic acid

7,12-dimethylbenzo[a]anthracene-1,9-disulfonic acid

Systemtic Name:7,12-dimethylbenzo[a]anthracene-1,9-disulfonic acid
Openeye Name:7,12-dimethylbenzo[a]anthracene-1,9-disulfonic acid
CAS Name:7,12-dimethylbenzo[a]anthracene-1,9-disulfonic acid
IUPAC Name:7,12-dimethylbenzo[a]anthracene-1,9-disulfonic acid
Traditional Name:7,12-dimethylbenz[a]anthracene-1,9-disulfonic acid
Formula: C20H16O6S2
MolecularWeight: 416.46744
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=CC2=C(C3=C1C4=C(C=CC=C4S(=O)(=O)O)C=C3)C)S(=O)(=O)O


Isomeric SMILES

CC1=C2C=CC(=CC2=C(C3=C1C4=C(C=CC=C4S(=O)(=O)O)C=C3)C)S(=O)(=O)O


InChI

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


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