4-[bis(oxidanyl)methyl]-2,5-bis(chloranyl)-3-[(5Z)-2,7-dinaphthalen-2-yl-3,6-bis(oxidanylidene)-4-pyridin-2-yl-5-(1H-pyridin-2-ylidene)xanthen-9-yl]benzoic acid

Systemtic Name: 4-[bis(oxidanyl)methyl]-2,5-bis(chloranyl)-3-[(5Z)-2,7-dinaphthalen-2-yl-3,6-bis(oxidanylidene)-4-pyridin-2-yl-5-(1H-pyridin-2-ylidene)xanthen-9-yl]benzoic acid Openeye Name: 3-[(4Z)-2,7-bis(2-naphthyl)-3,6-dioxo-4-(1H-pyridin-2-ylidene)-5-(2-pyridyl)xanthen-9-yl]-2,5-dichloro-4-(dihydroxymethyl)benzoic acid CAS Name: 3-[(5Z)-2,7-bis(2-naphthalenyl)-3,6-dioxo-4-(2-pyridinyl)-5-(1H-pyridin-2-ylidene)-9-xanthenyl]-2,5-dichloro-4-(dihydroxymethyl)benzoic acid IUPAC Name: 2,5-dichloro-4-(dihydroxymethyl)-3-[(5Z)-2,7-dinaphthalen-2-yl-3,6-dioxo-4-pyridin-2-yl-5-(1H-pyridin-2-ylidene)xanthen-9-yl]benzoic acid Traditional Name: 2,5-dichloro-4-(dihydroxymethyl)-3-[(4Z)-3,6-diketo-2,7-bis(2-naphthyl)-4-(1H-pyridin-2-ylidene)-5-(2-pyridyl)xanthen-9-yl]benzoic acid Formula: C51H30Cl2N2O7 MolecularWeight: 853.6991

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=CC4=C(C5=C(C(=C6C=CC=CN6)C(=O)C(=C5)C7=CC8=CC=CC=C8C=C7)OC4=C(C3=O)C9=CC=CC=N9)C1=C(C(=CC(=C1C(O)O)Cl)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=CC4=C(C5=C(/C(=C/6\C=CC=CN6)/C(=O)C(=C5)C7=CC8=CC=CC=C8C=C7)OC4=C(C3=O)C9=CC=CC=N9)C1=C(C(=CC(=C1C(O)O)Cl)C(=O)O)Cl

InChI

InChI=1S/C51H30Cl2N2O7/c52-37-25-36(50(58)59)45(53)44(41(37)51(60)61)40-34-23-32(30-17-15-26-9-1-3-11-28(26)21-30)46(56)42(38-13-5-7-19-54-38)48(34)62-49-35(40)24-33(47(57)43(49)39-14-6-8-20-55-39)31-18-16-27-10-2-4-12-29(27)22-31/h1-25,51,54,60-61H,(H,58,59)/b42-38+