3,3-dimethyl-2-(4-methyloctyl)-1-(2-sulfoethyl)-2H-indole-5-sulfonic acid

Systemtic Name: 3,3-dimethyl-2-(4-methyloctyl)-1-(2-sulfoethyl)-2H-indole-5-sulfonic acid Openeye Name: 3,3-dimethyl-2-(4-methyloctyl)-1-(2-sulfoethyl)indoline-5-sulfonic acid CAS Name: 3,3-dimethyl-2-(4-methyloctyl)-1-(2-sulfoethyl)-2H-indole-5-sulfonic acid IUPAC Name: 3,3-dimethyl-2-(4-methyloctyl)-1-(2-sulfoethyl)-2H-indole-5-sulfonic acid Traditional Name: 3,3-dimethyl-2-(4-methyloctyl)-1-(2-sulfoethyl)indoline-5-sulfonic acid Formula: C21H35NO6S2 MolecularWeight: 461.6357

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CCCC1C(C2=C(N1CCS(=O)(=O)O)C=CC(=C2)S(=O)(=O)O)(C)C

Isomeric SMILES

CCCCC(C)CCCC1C(C2=C(N1CCS(=O)(=O)O)C=CC(=C2)S(=O)(=O)O)(C)C

InChI

InChI=1S/C21H35NO6S2/c1-5-6-8-16(2)9-7-10-20-21(3,4)18-15-17(30(26,27)28)11-12-19(18)22(20)13-14-29(23,24)25/h11-12,15-16,20H,5-10,13-14H2,1-4H3,(H,23,24,25)(H,26,27,28)