3,3-dimethyl-2-(1-sulfobutyl)indole-5-sulfonic acid

Systemtic Name: 3,3-dimethyl-2-(1-sulfobutyl)indole-5-sulfonic acid Openeye Name: 3,3-dimethyl-2-(1-sulfobutyl)indole-5-sulfonic acid CAS Name: 3,3-dimethyl-2-(1-sulfobutyl)-5-indolesulfonic acid IUPAC Name: 3,3-dimethyl-2-(1-sulfobutyl)indole-5-sulfonic acid Traditional Name: 3,3-dimethyl-2-(1-sulfobutyl)indole-5-sulfonic acid Formula: C14H19NO6S2 MolecularWeight: 361.43376

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC2=C(C1(C)C)C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCC(C1=NC2=C(C1(C)C)C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H19NO6S2/c1-4-5-12(23(19,20)21)13-14(2,3)10-8-9(22(16,17)18)6-7-11(10)15-13/h6-8,12H,4-5H2,1-3H3,(H,16,17,18)(H,19,20,21)