1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-indole-3-sulfinic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-indole-3-sulfinic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-indole-3-sulfinic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-3-indolesulfinic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonylindole-3-sulfinic acid Traditional Name: 2-carbethoxy-1-(3,4-dichlorobenzyl)indole-3-sulfinic acid Formula: C18H15Cl2NO4S MolecularWeight: 412.287

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC(=C(C=C3)Cl)Cl)S(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC(=C(C=C3)Cl)Cl)S(=O)O

InChI

InChI=1S/C18H15Cl2NO4S/c1-2-25-18(22)16-17(26(23)24)12-5-3-4-6-15(12)21(16)10-11-7-8-13(19)14(20)9-11/h3-9H,2,10H2,1H3,(H,23,24)