anthracen-2-yl-[6-(anthracen-2-ylamino)-9-(2-carboxyphenyl)xanthen-3-ylidene]azanium

Systemtic Name: anthracen-2-yl-[6-(anthracen-2-ylamino)-9-(2-carboxyphenyl)xanthen-3-ylidene]azanium Openeye Name: 2-anthryl-[6-(2-anthrylamino)-9-(2-carboxyphenyl)xanthen-3-ylidene]ammonium CAS Name: 2-anthracenyl-[6-(2-anthracenylamino)-9-(2-carboxyphenyl)-3-xanthenylidene]ammonium IUPAC Name: anthracen-2-yl-[6-(anthracen-2-ylamino)-9-(2-carboxyphenyl)xanthen-3-ylidene]azanium Traditional Name: 2-anthryl-[6-(2-anthrylamino)-9-(2-carboxyphenyl)xanthen-3-ylidene]ammonium Formula: C48H31N2O3+ MolecularWeight: 683.77134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C=C(C=CC3=CC2=C1)NC4=CC5=C(C=C4)C(=C6C=CC(=[NH+]C7=CC8=CC9=CC=CC=C9C=C8C=C7)C=C6O5)C1=CC=CC=C1C(=O)O

Isomeric SMILES

C1=CC=C2C=C3C=C(C=CC3=CC2=C1)NC4=CC5=C(C=C4)C(=C6C=CC(=[NH+]C7=CC8=CC9=CC=CC=C9C=C8C=C7)C=C6O5)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C48H30N2O3/c51-48(52)42-12-6-5-11-41(42)47-43-19-17-39(49-37-15-13-33-21-29-7-1-3-9-31(29)23-35(33)25-37)27-45(43)53-46-28-40(18-20-44(46)47)50-38-16-14-34-22-30-8-2-4-10-32(30)24-36(34)26-38/h1-28,49H,(H,51,52)/p+1