3-[4,5-dimethyl-3,6-bis(oxidanyl)xanthen-9-ylidene]propanoic acid

Systemtic Name: 3-[4,5-dimethyl-3,6-bis(oxidanyl)xanthen-9-ylidene]propanoic acid Openeye Name: 3-(3,6-dihydroxy-4,5-dimethyl-xanthen-9-ylidene)propanoic acid CAS Name: 3-(3,6-dihydroxy-4,5-dimethyl-9-xanthenylidene)propanoic acid IUPAC Name: 3-(3,6-dihydroxy-4,5-dimethylxanthen-9-ylidene)propanoic acid Traditional Name: 3-(3,6-dihydroxy-4,5-dimethyl-xanthen-9-ylidene)propionic acid Formula: C18H16O5 MolecularWeight: 312.31664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC3=C(C2=CCC(=O)O)C=CC(=C3C)O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC3=C(C2=CCC(=O)O)C=CC(=C3C)O)O

InChI

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