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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C2=C1C=C(C=C2)S(=O)(=O)O)CCCS(=O)(=O)O)C(=C)NC3=CC=CC=C3)C

Isomeric SMILES

CC1(C(N(C2=C1C=C(C=C2)S(=O)(=O)O)CCCS(=O)(=O)O)C(=C)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O6S2/c1-15(22-16-8-5-4-6-9-16)20-21(2,3)18-14-17(31(27,28)29)10-11-19(18)23(20)12-7-13-30(24,25)26/h4-6,8-11,14,20,22H,1,7,12-13H2,2-3H3,(H,24,25,26)(H,27,28,29)