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

Systemtic Name: sodium 4-(4-chloranyl-1-sulfo-6-sulfooxy-indol-5-yl)oxy-5-oxidanyl-6-sulfooxy-indole-1-sulfonic acid Openeye Name: sodium 4-(4-chloro-1-sulfo-6-sulfooxy-indol-5-yl)oxy-5-hydroxy-6-sulfooxy-indole-1-sulfonic acid CAS Name: sodium 4-[(4-chloro-1-sulfo-6-sulfooxy-5-indolyl)oxy]-5-hydroxy-6-sulfooxy-1-indolesulfonic acid IUPAC Name: sodium 4-(4-chloro-1-sulfo-6-sulfooxyindol-5-yl)oxy-5-hydroxy-6-sulfooxyindole-1-sulfonic acid Traditional Name: sodium 4-(4-chloro-1-sulfo-6-sulfoxy-indol-5-yl)oxy-5-hydroxy-6-sulfoxy-indole-1-sulfonic acid Formula: C16H11ClN2NaO16S4+ MolecularWeight: 673.96511

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C2=CC(=C(C(=C21)OC3=C(C=C4C(=C3Cl)C=CN4S(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CN(C2=CC(=C(C(=C21)OC3=C(C=C4C(=C3Cl)C=CN4S(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C16H11ClN2O16S4.Na/c17-13-7-1-3-18(36(21,22)23)9(7)6-12(35-39(30,31)32)16(13)33-15-8-2-4-19(37(24,25)26)10(8)5-11(14(15)20)34-38(27,28)29;/h1-6,20H,(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32);/q;+1