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

Systemtic Name: 3,3-dimethyl-2-methylidene-1-(2-sulfoethyl)indole-5-sulfonic acid Openeye Name: 3,3-dimethyl-2-methylene-1-(2-sulfoethyl)indoline-5-sulfonic acid CAS Name: 3,3-dimethyl-2-methylene-1-(2-sulfoethyl)-5-indolesulfonic acid IUPAC Name: 3,3-dimethyl-2-methylidene-1-(2-sulfoethyl)indole-5-sulfonic acid Traditional Name: 3,3-dimethyl-2-methylene-1-(2-sulfoethyl)indoline-5-sulfonic acid Formula: C13H17NO6S2 MolecularWeight: 347.40718

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C)N(C2=C1C=C(C=C2)S(=O)(=O)O)CCS(=O)(=O)O)C

Isomeric SMILES

CC1(C(=C)N(C2=C1C=C(C=C2)S(=O)(=O)O)CCS(=O)(=O)O)C

InChI

InChI=1S/C13H17NO6S2/c1-9-13(2,3)11-8-10(22(18,19)20)4-5-12(11)14(9)6-7-21(15,16)17/h4-5,8H,1,6-7H2,2-3H3,(H,15,16,17)(H,18,19,20)