[4-[3,6-bis(oxidanyl)xanthen-9-ylidene]-3-ethoxycarbonyl-cyclohexa-2,5-dien-1-ylidene]azanium

Systemtic Name: [4-[3,6-bis(oxidanyl)xanthen-9-ylidene]-3-ethoxycarbonyl-cyclohexa-2,5-dien-1-ylidene]azanium Openeye Name: [4-(3,6-dihydroxyxanthen-9-ylidene)-3-ethoxycarbonyl-cyclohexa-2,5-dien-1-ylidene]ammonium CAS Name: [4-(3,6-dihydroxy-9-xanthenylidene)-3-ethoxycarbonyl-1-cyclohexa-2,5-dienylidene]ammonium IUPAC Name: [4-(3,6-dihydroxyxanthen-9-ylidene)-3-ethoxycarbonylcyclohexa-2,5-dien-1-ylidene]azanium Traditional Name: [3-carbethoxy-4-(3,6-dihydroxyxanthen-9-ylidene)cyclohexa-2,5-dien-1-ylidene]ammonium Formula: C22H18NO5+ MolecularWeight: 376.38202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=[NH2+])C=CC1=C2C3=C(C=C(C=C3)O)OC4=C2C=CC(=C4)O

Isomeric SMILES

CCOC(=O)C1=CC(=[NH2+])C=CC1=C2C3=C(C=C(C=C3)O)OC4=C2C=CC(=C4)O

InChI

InChI=1S/C22H17NO5/c1-2-27-22(26)18-9-12(23)3-6-15(18)21-16-7-4-13(24)10-19(16)28-20-11-14(25)5-8-17(20)21/h3-11,23-25H,2H2,1H3/p+1