2-[3-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxy-6-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxy-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[3-(4-guanidinobenzoyl)oxy-6-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[3-[[4-(diaminomethylideneamino)phenyl]-oxomethoxy]-6-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[3-[4-(diaminomethylideneamino)benzoyl]oxy-6-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[3-(4-guanidinobenzoyl)oxy-6-keto-xanthen-9-yl]benzoic acid Formula: C28H19N3O6 MolecularWeight: 493.46696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OC(=O)C5=CC=C(C=C5)N=C(N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OC(=O)C5=CC=C(C=C5)N=C(N)N)C(=O)O

InChI

InChI=1S/C28H19N3O6/c29-28(30)31-16-7-5-15(6-8-16)27(35)36-18-10-12-22-24(14-18)37-23-13-17(32)9-11-21(23)25(22)19-3-1-2-4-20(19)26(33)34/h1-14H,(H,33,34)(H4,29,30,31)