1-(4-octyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonic acid

Systemtic Name: 1-(4-octyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonic acid Openeye Name: 1-(4-octylthiazol-2-yl)indoline-5-sulfonic acid CAS Name: 1-(4-octyl-2-thiazolyl)-2,3-dihydroindole-5-sulfonic acid IUPAC Name: 1-(4-octyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonic acid Traditional Name: 1-(4-octylthiazol-2-yl)indoline-5-sulfonic acid Formula: C19H26N2O3S2 MolecularWeight: 394.55134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CSC(=N1)N2CCC3=C2C=CC(=C3)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1=CSC(=N1)N2CCC3=C2C=CC(=C3)S(=O)(=O)O

InChI

InChI=1S/C19H26N2O3S2/c1-2-3-4-5-6-7-8-16-14-25-19(20-16)21-12-11-15-13-17(26(22,23)24)9-10-18(15)21/h9-10,13-14H,2-8,11-12H2,1H3,(H,22,23,24)