(2E)-2-[1-(2,5-dimethylthiophen-3-yl)-2-methyl-propylidene]-3-propan-2-ylidene-butanedioic acid

Systemtic Name: (2E)-2-[1-(2,5-dimethylthiophen-3-yl)-2-methyl-propylidene]-3-propan-2-ylidene-butanedioic acid Openeye Name: (2E)-2-[1-(2,5-dimethyl-3-thienyl)-2-methyl-propylidene]-3-isopropylidene-butanedioic acid CAS Name: (2E)-2-[1-(2,5-dimethyl-3-thiophenyl)-2-methylpropylidene]-3-propan-2-ylidenebutanedioic acid IUPAC Name: (2E)-2-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropylidene]-3-propan-2-ylidenebutanedioic acid Traditional Name: (2E)-2-[1-(2,5-dimethyl-3-thienyl)-2-methyl-propylidene]-3-isopropylidene-succinic acid Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=C(C(=C(C)C)C(=O)O)C(=O)O)C(C)C

Isomeric SMILES

CC1=CC(=C(S1)C)/C(=C(\C(=C(C)C)C(=O)O)/C(=O)O)/C(C)C

InChI

InChI=1S/C17H22O4S/c1-8(2)13(12-7-10(5)22-11(12)6)15(17(20)21)14(9(3)4)16(18)19/h7-8H,1-6H3,(H,18,19)(H,20,21)/b15-13+