(E)-4-[3,4,5,6-tetrakis(oxidanyl)xanthen-10-ium-9-yl]but-2-enoate

Systemtic Name: (E)-4-[3,4,5,6-tetrakis(oxidanyl)xanthen-10-ium-9-yl]but-2-enoate Openeye Name: (E)-4-(3,4,5,6-tetrahydroxyxanthen-10-ium-9-yl)but-2-enoate CAS Name: (E)-4-(3,4,5,6-tetrahydroxy-9-xanthen-10-iumyl)-2-butenoate IUPAC Name: (E)-4-(3,4,5,6-tetrahydroxyxanthen-10-ium-9-yl)but-2-enoate Traditional Name: (E)-4-(3,4,5,6-tetrahydroxyxanthen-10-ium-9-yl)but-2-enoate Formula: C17H12O7 MolecularWeight: 328.27298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=[O+]C3=C(C=CC(=C3O)O)C(=C21)CC=CC(=O)[O-])O)O

Isomeric SMILES

C1=CC(=C(C2=[O+]C3=C(C=CC(=C3O)O)C(=C21)C/C=C/C(=O)[O-])O)O

InChI

InChI=1S/C17H12O7/c18-11-6-4-9-8(2-1-3-13(20)21)10-5-7-12(19)15(23)17(10)24-16(9)14(11)22/h1,3-7H,2H2,(H4-,18,19,20,21,22,23)/b3-1+