3-[2,7-dimethyl-3,6-bis(oxidanyl)xanthen-9-ylidene]propanoic acid

Systemtic Name: 3-[2,7-dimethyl-3,6-bis(oxidanyl)xanthen-9-ylidene]propanoic acid Openeye Name: 3-(3,6-dihydroxy-2,7-dimethyl-xanthen-9-ylidene)propanoic acid CAS Name: 3-(3,6-dihydroxy-2,7-dimethyl-9-xanthenylidene)propanoic acid IUPAC Name: 3-(3,6-dihydroxy-2,7-dimethylxanthen-9-ylidene)propanoic acid Traditional Name: 3-(3,6-dihydroxy-2,7-dimethyl-xanthen-9-ylidene)propionic acid Formula: C18H16O5 MolecularWeight: 312.31664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CCC(=O)O)C3=CC(=C(C=C3O2)O)C)O

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CCC(=O)O)C3=CC(=C(C=C3O2)O)C)O

InChI

InChI=1S/C18H16O5/c1-9-5-12-11(3-4-18(21)22)13-6-10(2)15(20)8-17(13)23-16(12)7-14(9)19/h3,5-8,19-20H,4H2,1-2H3,(H,21,22)