(Z)-3-[3,5-bis[(Z)-4-oxidanyl-4-oxidanylidene-but-2-en-2-yl]phenyl]but-2-enoic acid

Systemtic Name: (Z)-3-[3,5-bis[(Z)-4-oxidanyl-4-oxidanylidene-but-2-en-2-yl]phenyl]but-2-enoic acid Openeye Name: (Z)-3-[3,5-bis[(Z)-3-hydroxy-1-methyl-3-oxo-prop-1-enyl]phenyl]but-2-enoic acid CAS Name: (Z)-3-[3,5-bis[(Z)-4-hydroxy-4-oxobut-2-en-2-yl]phenyl]-2-butenoic acid IUPAC Name: (Z)-3-[3,5-bis[(Z)-4-hydroxy-4-oxobut-2-en-2-yl]phenyl]but-2-enoic acid Traditional Name: (Z)-3-[3,5-bis[(Z)-3-hydroxy-3-keto-1-methyl-prop-1-enyl]phenyl]but-2-enoic acid Formula: C18H18O6 MolecularWeight: 330.33192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O6/c1-10(4-16(19)20)13-7-14(11(2)5-17(21)22)9-15(8-13)12(3)6-18(23)24/h4-9H,1-3H3,(H,19,20)(H,21,22)(H,23,24)/b10-4-,11-5-,12-6-