phthalate; 2,3,4,5-tetramethylthionine

Systemtic Name: phthalate; 2,3,4,5-tetramethylthionine Openeye Name: phthalate; 2,3,4,5-tetramethylthionine CAS Name: phthalate; 2,3,4,5-tetramethylthionin IUPAC Name: phthalate; 2,3,4,5-tetramethylthionine Traditional Name: phthalate; 2,3,4,5-tetramethylthionin Formula: C20H20O4S-2 MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(SC=CC=C1)C)C)C.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(SC=CC=C1)C)C)C.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H16S.C8H6O4/c1-9-7-5-6-8-13-12(4)11(3)10(9)2;9-7(10)5-3-1-2-4-6(5)8(11)12/h5-8H,1-4H3;1-4H,(H,9,10)(H,11,12)/p-2