(2Z)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-3-oxidanylidene-1H-indene-1-carboxylic acid

Systemtic Name: (2Z)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-3-oxidanylidene-1H-indene-1-carboxylic acid Openeye Name: (2Z)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-3-oxo-indane-1-carboxylic acid CAS Name: (2Z)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-3-oxo-1H-indene-1-carboxylic acid IUPAC Name: (2Z)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-3-oxo-1H-indene-1-carboxylic acid Traditional Name: (2Z)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-3-keto-indane-1-carboxylic acid Formula: C21H18O3S2 MolecularWeight: 382.49582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)SC(=C3C(C4=CC=CC=C4C3=O)C(=O)O)S2

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)S/C(=C/3\C(C4=CC=CC=C4C3=O)C(=O)O)/S2

InChI

InChI=1S/C21H18O3S2/c1-21(2,3)11-8-9-14-15(10-11)26-20(25-14)17-16(19(23)24)12-6-4-5-7-13(12)18(17)22/h4-10,16H,1-3H3,(H,23,24)/b20-17-