(2E,4E)-3-hexyl-5-methyl-2-[(E)-2-phenylethenyl]hexa-2,4-dienedioic acid

Systemtic Name: (2E,4E)-3-hexyl-5-methyl-2-[(E)-2-phenylethenyl]hexa-2,4-dienedioic acid Openeye Name: (2E,4E)-3-hexyl-5-methyl-2-[(E)-styryl]hexa-2,4-dienedioic acid CAS Name: (2E,4E)-3-hexyl-5-methyl-2-[(E)-2-phenylethenyl]hexa-2,4-dienedioic acid IUPAC Name: (2E,4E)-3-hexyl-5-methyl-2-[(E)-2-phenylethenyl]hexa-2,4-dienedioic acid Traditional Name: (2E,4E)-3-hexyl-5-methyl-2-[(E)-styryl]muconic acid Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=C(C=CC1=CC=CC=C1)C(=O)O)C=C(C)C(=O)O

Isomeric SMILES

CCCCCC/C(=C(/C=C/C1=CC=CC=C1)\C(=O)O)/C=C(\C)/C(=O)O

InChI

InChI=1S/C21H26O4/c1-3-4-5-9-12-18(15-16(2)20(22)23)19(21(24)25)14-13-17-10-7-6-8-11-17/h6-8,10-11,13-15H,3-5,9,12H2,1-2H3,(H,22,23)(H,24,25)/b14-13+,16-15+,19-18+