[6-azanyl-9-(2,5-dicarboxyphenyl)-4,5-disulfo-xanthen-3-ylidene]azanium

Systemtic Name: [6-azanyl-9-(2,5-dicarboxyphenyl)-4,5-disulfo-xanthen-3-ylidene]azanium Openeye Name: [6-amino-9-(2,5-dicarboxyphenyl)-4,5-disulfo-xanthen-3-ylidene]ammonium CAS Name: [6-amino-9-(2,5-dicarboxyphenyl)-4,5-disulfo-3-xanthenylidene]ammonium IUPAC Name: [6-amino-9-(2,5-dicarboxyphenyl)-4,5-disulfoxanthen-3-ylidene]azanium Traditional Name: [6-amino-9-(2,5-dicarboxyphenyl)-4,5-disulfo-xanthen-3-ylidene]ammonium Formula: C21H15N2O11S2+ MolecularWeight: 535.4806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C2=C3C=CC(=[NH2+])C(=C3OC4=C2C=CC(=C4S(=O)(=O)O)N)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C2=C3C=CC(=[NH2+])C(=C3OC4=C2C=CC(=C4S(=O)(=O)O)N)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C21H14N2O11S2/c22-13-5-3-10-15(12-7-8(20(24)25)1-2-9(12)21(26)27)11-4-6-14(23)19(36(31,32)33)17(11)34-16(10)18(13)35(28,29)30/h1-7,22H,23H2,(H,24,25)(H,26,27)(H,28,29,30)(H,31,32,33)/p+1