[6-azanyl-9-(2-carboxyphenyl)xanthen-3-ylidene]azanium; hydrogen sulfate

Systemtic Name: [6-azanyl-9-(2-carboxyphenyl)xanthen-3-ylidene]azanium; hydrogen sulfate Openeye Name: [6-amino-9-(2-carboxyphenyl)xanthen-3-ylidene]ammonium; hydrogen sulfate CAS Name: [6-amino-9-(2-carboxyphenyl)-3-xanthenylidene]ammonium; hydrogen sulfate IUPAC Name: [6-amino-9-(2-carboxyphenyl)xanthen-3-ylidene]azanium; hydrogen sulfate Traditional Name: [6-amino-9-(2-carboxyphenyl)xanthen-3-ylidene]ammonium bisulfate Formula: C20H16N2O7S MolecularWeight: 428.41524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N)C(=O)O.OS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N)C(=O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C20H14N2O3.H2O4S/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;1-5(2,3)4/h1-10,21H,22H2,(H,23,24);(H2,1,2,3,4)