1,8-bis[(3-nitrophenyl)-[[(3-nitrophenyl)-oxidanyl-methyl]amino]methyl]naphthalene-2,7-diol

Systemtic Name: 1,8-bis[(3-nitrophenyl)-[[(3-nitrophenyl)-oxidanyl-methyl]amino]methyl]naphthalene-2,7-diol Openeye Name: 1,8-bis[[[hydroxy-(3-nitrophenyl)methyl]amino]-(3-nitrophenyl)methyl]naphthalene-2,7-diol CAS Name: 1,8-bis[[[hydroxy-(3-nitrophenyl)methyl]amino]-(3-nitrophenyl)methyl]naphthalene-2,7-diol IUPAC Name: 1,8-bis[[[hydroxy-(3-nitrophenyl)methyl]amino]-(3-nitrophenyl)methyl]naphthalene-2,7-diol Traditional Name: 1,8-bis[[[hydroxy-(3-nitrophenyl)methyl]amino]-(3-nitrophenyl)methyl]naphthalene-2,7-diol Formula: C38H30N6O12 MolecularWeight: 762.6778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(C2=C(C=CC3=C2C(=C(C=C3)O)C(C4=CC(=CC=C4)[N+](=O)[O-])NC(C5=CC(=CC=C5)[N+](=O)[O-])O)O)NC(C6=CC(=CC=C6)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(C2=C(C=CC3=C2C(=C(C=C3)O)C(C4=CC(=CC=C4)[N+](=O)[O-])NC(C5=CC(=CC=C5)[N+](=O)[O-])O)O)NC(C6=CC(=CC=C6)[N+](=O)[O-])O

InChI

InChI=1S/C38H30N6O12/c45-30-15-13-21-14-16-31(46)34(36(23-6-2-10-27(18-23)42(51)52)40-38(48)25-8-4-12-29(20-25)44(55)56)32(21)33(30)35(22-5-1-9-26(17-22)41(49)50)39-37(47)24-7-3-11-28(19-24)43(53)54/h1-20,35-40,45-48H