2-[3,4-bis(chloranyl)phenoxy]ethanoic acid; naphthalen-1-ylmethyl carbamimidothioate

Systemtic Name: 2-[3,4-bis(chloranyl)phenoxy]ethanoic acid; naphthalen-1-ylmethyl carbamimidothioate Openeye Name: 2-(3,4-dichlorophenoxy)acetic acid; 2-(1-naphthylmethyl)isothiourea CAS Name: carbamimidothioic acid 1-naphthalenylmethyl ester; 2-(3,4-dichlorophenoxy)acetic acid IUPAC Name: 2-(3,4-dichlorophenoxy)acetic acid; naphthalen-1-ylmethyl carbamimidothioate Traditional Name: 2-(3,4-dichlorophenoxy)acetic acid; 2-(1-naphthylmethyl)isothiourea Formula: C20H18Cl2N2O3S MolecularWeight: 437.33952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC(=N)N.C1=CC(=C(C=C1OCC(=O)O)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC(=N)N.C1=CC(=C(C=C1OCC(=O)O)Cl)Cl

InChI

InChI=1S/C12H12N2S.C8H6Cl2O3/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10;9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-7H,8H2,(H3,13,14);1-3H,4H2,(H,11,12)