5-sulfanylanthracene-1,2,3,4-tetracarboxylic acid

Systemtic Name: 5-sulfanylanthracene-1,2,3,4-tetracarboxylic acid Openeye Name: 5-sulfanylanthracene-1,2,3,4-tetracarboxylic acid CAS Name: 5-mercaptoanthracene-1,2,3,4-tetracarboxylic acid IUPAC Name: 5-sulfanylanthracene-1,2,3,4-tetracarboxylic acid Traditional Name: 5-mercaptoanthracene-1,2,3,4-tetracarboxylic acid Formula: C18H10O8S MolecularWeight: 386.3322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3=C(C=C2C(=C1)S)C(=C(C(=C3C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=CC3=C(C=C2C(=C1)S)C(=C(C(=C3C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C18H10O8S/c19-15(20)11-8-4-6-2-1-3-10(27)7(6)5-9(8)12(16(21)22)14(18(25)26)13(11)17(23)24/h1-5,27H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)