2-[(triphenylmethyl)amino]-3-thia-1-azoniabicyclo[3.1.0]hexa-1,4-diene-6-carboxylic acid

Systemtic Name: 2-[(triphenylmethyl)amino]-3-thia-1-azoniabicyclo[3.1.0]hexa-1,4-diene-6-carboxylic acid Openeye Name: 2-(tritylamino)-3-thia-1-azoniabicyclo[3.1.0]hexa-1,4-diene-6-carboxylic acid CAS Name: 2-[(triphenylmethyl)amino]-3-thia-1-azoniabicyclo[3.1.0]hexa-1,4-diene-6-carboxylic acid IUPAC Name: 2-(tritylamino)-3-thia-1-azoniabicyclo[3.1.0]hexa-1,4-diene-6-carboxylic acid Traditional Name: 2-(tritylamino)-3-thia-1-azoniabicyclo[3.1.0]hexa-1,4-diene-6-carboxylic acid Formula: C24H19N2O2S+ MolecularWeight: 399.48486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=[N+]5C(C5=CS4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=[N+]5C(C5=CS4)C(=O)O

InChI

InChI=1S/C24H18N2O2S/c27-22(28)21-20-16-29-23(26(20)21)25-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16,21H,(H,27,28)/p+1