2-oxidanylidene-3-thianthren-2-yl-butanedioic acid

Systemtic Name: 2-oxidanylidene-3-thianthren-2-yl-butanedioic acid Openeye Name: 2-oxo-3-thianthren-2-yl-butanedioic acid CAS Name: 2-oxo-3-(2-thianthrenyl)butanedioic acid IUPAC Name: 2-oxo-3-thianthren-2-ylbutanedioic acid Traditional Name: 2-keto-3-thianthren-2-yl-succinic acid Formula: C16H10O5S2 MolecularWeight: 346.3776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC3=C(S2)C=C(C=C3)C(C(=O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)SC3=C(S2)C=C(C=C3)C(C(=O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H10O5S2/c17-14(16(20)21)13(15(18)19)8-5-6-11-12(7-8)23-10-4-2-1-3-9(10)22-11/h1-7,13H,(H,18,19)(H,20,21)