2-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylbutanedioic acid

Systemtic Name: 2-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylbutanedioic acid Openeye Name: 2-[(3-chloro-1,4-dioxo-2-naphthyl)sulfanyl]butanedioic acid CAS Name: 2-[(3-chloro-1,4-dioxo-2-naphthalenyl)thio]butanedioic acid IUPAC Name: 2-(3-chloro-1,4-dioxonaphthalen-2-yl)sulfanylbutanedioic acid Traditional Name: 2-[(3-chloro-1,4-diketo-2-naphthyl)thio]succinic acid Formula: C14H9ClO6S MolecularWeight: 340.73566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H9ClO6S/c15-10-11(18)6-3-1-2-4-7(6)12(19)13(10)22-8(14(20)21)5-9(16)17/h1-4,8H,5H2,(H,16,17)(H,20,21)