5-oxidanyl-6-sulfooxy-4-(1-sulfo-6-sulfooxy-indol-5-yl)oxy-indole-1-sulfonic acid

Systemtic Name: 5-oxidanyl-6-sulfooxy-4-(1-sulfo-6-sulfooxy-indol-5-yl)oxy-indole-1-sulfonic acid Openeye Name: 5-hydroxy-6-sulfooxy-4-(1-sulfo-6-sulfooxy-indol-5-yl)oxy-indole-1-sulfonic acid CAS Name: 5-hydroxy-6-sulfooxy-4-[(1-sulfo-6-sulfooxy-5-indolyl)oxy]-1-indolesulfonic acid IUPAC Name: 5-hydroxy-6-sulfooxy-4-(1-sulfo-6-sulfooxyindol-5-yl)oxyindole-1-sulfonic acid Traditional Name: 5-hydroxy-4-(1-sulfo-6-sulfoxy-indol-5-yl)oxy-6-sulfoxy-indole-1-sulfonic acid Formula: C16H12N2O16S4 MolecularWeight: 616.53028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C2=CC(=C(C=C21)OC3=C4C=CN(C4=CC(=C3O)OS(=O)(=O)O)S(=O)(=O)O)OS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CN(C2=CC(=C(C=C21)OC3=C4C=CN(C4=CC(=C3O)OS(=O)(=O)O)S(=O)(=O)O)OS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H12N2O16S4/c19-15-14(34-38(29,30)31)7-11-9(2-4-18(11)36(23,24)25)16(15)32-12-5-8-1-3-17(35(20,21)22)10(8)6-13(12)33-37(26,27)28/h1-7,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)