1-oxidanyl-12-sulfo-perylene-3,4,9,10-tetracarboxylic acid

Systemtic Name: 1-oxidanyl-12-sulfo-perylene-3,4,9,10-tetracarboxylic acid Openeye Name: 1-hydroxy-12-sulfo-perylene-3,4,9,10-tetracarboxylic acid CAS Name: 1-hydroxy-12-sulfoperylene-3,4,9,10-tetracarboxylic acid IUPAC Name: 1-hydroxy-12-sulfoperylene-3,4,9,10-tetracarboxylic acid Traditional Name: 1-hydroxy-12-sulfo-perylene-3,4,9,10-tetracarboxylic acid Formula: C24H12O12S MolecularWeight: 524.40988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=CC(=C3C2=C1C4=C5C3=C(C=C(C5=C(C=C4)C(=O)O)C(=O)O)S(=O)(=O)O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C2C(=CC(=C3C2=C1C4=C5C3=C(C=C(C5=C(C=C4)C(=O)O)C(=O)O)S(=O)(=O)O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C24H12O12S/c25-13-5-11(23(30)31)15-9(21(26)27)3-1-7-8-2-4-10(22(28)29)16-12(24(32)33)6-14(37(34,35)36)20(18(8)16)19(13)17(7)15/h1-6,25H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35,36)