3,3-dimethyl-2-(1-phenylazanylethenyl)-1-(1-sulfopropyl)-2H-indole-5-sulfonic acid

Systemtic Name: 3,3-dimethyl-2-(1-phenylazanylethenyl)-1-(1-sulfopropyl)-2H-indole-5-sulfonic acid Openeye Name: 2-(1-anilinovinyl)-3,3-dimethyl-1-(1-sulfopropyl)indoline-5-sulfonic acid CAS Name: 2-(1-anilinoethenyl)-3,3-dimethyl-1-(1-sulfopropyl)-2H-indole-5-sulfonic acid IUPAC Name: 2-(1-anilinoethenyl)-3,3-dimethyl-1-(1-sulfopropyl)-2H-indole-5-sulfonic acid Traditional Name: 2-(1-anilinovinyl)-3,3-dimethyl-1-(1-sulfopropyl)indoline-5-sulfonic acid Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C(C(C2=C1C=CC(=C2)S(=O)(=O)O)(C)C)C(=C)NC3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

CCC(N1C(C(C2=C1C=CC(=C2)S(=O)(=O)O)(C)C)C(=C)NC3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C21H26N2O6S2/c1-5-19(31(27,28)29)23-18-12-11-16(30(24,25)26)13-17(18)21(3,4)20(23)14(2)22-15-9-7-6-8-10-15/h6-13,19-20,22H,2,5H2,1,3-4H3,(H,24,25,26)(H,27,28,29)