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3-[3,6-bis(oxidanyl)xanthen-10-ium-9-yl]propanoic acid

3-[3,6-bis(oxidanyl)xanthen-10-ium-9-yl]propanoic acid

Systemtic Name:3-[3,6-bis(oxidanyl)xanthen-10-ium-9-yl]propanoic acid
Openeye Name:3-(3,6-dihydroxyxanthen-10-ium-9-yl)propanoic acid
CAS Name:3-(3,6-dihydroxy-9-xanthen-10-iumyl)propanoic acid
IUPAC Name:3-(3,6-dihydroxyxanthen-10-ium-9-yl)propanoic acid
Traditional Name:3-(3,6-dihydroxyxanthen-10-ium-9-yl)propionic acid
Formula: C16H13O5+
MolecularWeight: 285.27142
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)[O+]=C3C=C(C=CC3=C2CCC(=O)O)O


Isomeric SMILES

C1=CC2=C(C=C1O)[O+]=C3C=C(C=CC3=C2CCC(=O)O)O


InChI

InChI=1S/C16H12O5/c17-9-1-3-12-11(5-6-16(19)20)13-4-2-10(18)8-15(13)21-14(12)7-9/h1-4,7-8H,5-6H2,(H2-,17,18,19,20)/p+1


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