9,10-bis(chloranyl)-4,8-bis(methoxycarbonyl)anthracene-1-sulfonic acid

Systemtic Name: 9,10-bis(chloranyl)-4,8-bis(methoxycarbonyl)anthracene-1-sulfonic acid Openeye Name: 9,10-dichloro-4,8-bis(methoxycarbonyl)anthracene-1-sulfonic acid CAS Name: 9,10-dichloro-4,8-bis(methoxycarbonyl)-1-anthracenesulfonic acid IUPAC Name: 9,10-dichloro-4,8-bis(methoxycarbonyl)anthracene-1-sulfonic acid Traditional Name: 4,8-dicarbomethoxy-9,10-dichloro-anthracene-1-sulfonic acid Formula: C18H12Cl2O7S MolecularWeight: 443.25468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=C(C=C1)S(=O)(=O)O)C(=C3C(=C2Cl)C=CC=C3C(=O)OC)Cl

Isomeric SMILES

COC(=O)C1=C2C(=C(C=C1)S(=O)(=O)O)C(=C3C(=C2Cl)C=CC=C3C(=O)OC)Cl

InChI

InChI=1S/C18H12Cl2O7S/c1-26-17(21)9-5-3-4-8-12(9)16(20)14-11(28(23,24)25)7-6-10(18(22)27-2)13(14)15(8)19/h3-7H,1-2H3,(H,23,24,25)