potassium 2,3-dimethyl-3-[(Z)-5-oxidanyl-5-oxidanylidene-pent-1-enyl]indole-5-sulfonate

Systemtic Name: potassium 2,3-dimethyl-3-[(Z)-5-oxidanyl-5-oxidanylidene-pent-1-enyl]indole-5-sulfonate Openeye Name: potassium 3-[(Z)-5-hydroxy-5-oxo-pent-1-enyl]-2,3-dimethyl-indole-5-sulfonate CAS Name: potassium 3-[(Z)-5-hydroxy-5-oxopent-1-enyl]-2,3-dimethyl-5-indolesulfonate IUPAC Name: potassium 3-[(Z)-5-hydroxy-5-oxopent-1-enyl]-2,3-dimethylindole-5-sulfonate Traditional Name: potassium 3-[(Z)-5-hydroxy-5-keto-pent-1-enyl]-2,3-dimethyl-indole-5-sulfonate Formula: C15H16KNO5S MolecularWeight: 361.45454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C1(C)C=CCCC(=O)O)C=C(C=C2)S(=O)(=O)[O-].[K+]

Isomeric SMILES

CC1=NC2=C(C1(C)/C=C\CCC(=O)O)C=C(C=C2)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C15H17NO5S.K/c1-10-15(2,8-4-3-5-14(17)18)12-9-11(22(19,20)21)6-7-13(12)16-10;/h4,6-9H,3,5H2,1-2H3,(H,17,18)(H,19,20,21);/q;+1/p-1/b8-4-;