2-[3,5-bis(1-oxidanyl-1-oxidanylidene-but-3-en-2-yl)phenyl]but-3-enoic acid

Systemtic Name: 2-[3,5-bis(1-oxidanyl-1-oxidanylidene-but-3-en-2-yl)phenyl]but-3-enoic acid Openeye Name: 2-[3,5-bis(1-carboxyallyl)phenyl]but-3-enoic acid CAS Name: 2-[3,5-bis(1-hydroxy-1-oxobut-3-en-2-yl)phenyl]-3-butenoic acid IUPAC Name: 2-[3,5-bis(1-hydroxy-1-oxobut-3-en-2-yl)phenyl]but-3-enoic acid Traditional Name: 2-[3,5-bis(1-carboxyallyl)phenyl]but-3-enoic acid Formula: C18H18O6 MolecularWeight: 330.33192

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C1=CC(=CC(=C1)C(C=C)C(=O)O)C(C=C)C(=O)O)C(=O)O

Isomeric SMILES

C=CC(C1=CC(=CC(=C1)C(C=C)C(=O)O)C(C=C)C(=O)O)C(=O)O

InChI

InChI=1S/C18H18O6/c1-4-13(16(19)20)10-7-11(14(5-2)17(21)22)9-12(8-10)15(6-3)18(23)24/h4-9,13-15H,1-3H2,(H,19,20)(H,21,22)(H,23,24)