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

Systemtic Name: 5-methoxy-6-sulfooxy-4-(1-sulfo-6-sulfooxy-indol-5-yl)oxy-indole-1-sulfonic acid Openeye Name: 5-methoxy-6-sulfooxy-4-(1-sulfo-6-sulfooxy-indol-5-yl)oxy-indole-1-sulfonic acid CAS Name: 5-methoxy-6-sulfooxy-4-[(1-sulfo-6-sulfooxy-5-indolyl)oxy]-1-indolesulfonic acid IUPAC Name: 5-methoxy-6-sulfooxy-4-(1-sulfo-6-sulfooxyindol-5-yl)oxyindole-1-sulfonic acid Traditional Name: 5-methoxy-4-(1-sulfo-6-sulfoxy-indol-5-yl)oxy-6-sulfoxy-indole-1-sulfonic acid Formula: C17H14N2O16S4 MolecularWeight: 630.55686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1OC3=C(C=C4C(=C3)C=CN4S(=O)(=O)O)OS(=O)(=O)O)C=CN2S(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1OC3=C(C=C4C(=C3)C=CN4S(=O)(=O)O)OS(=O)(=O)O)C=CN2S(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C17H14N2O16S4/c1-32-17-15(35-39(29,30)31)8-12-10(3-5-19(12)37(23,24)25)16(17)33-13-6-9-2-4-18(36(20,21)22)11(9)7-14(13)34-38(26,27)28/h2-8H,1H3,(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)