sodium 4-azanyl-9,10-bis(oxidanylidene)-3-[4-(2-phenylpropan-2-yl)phenoxy]anthracen-1-olate

Systemtic Name: sodium 4-azanyl-9,10-bis(oxidanylidene)-3-[4-(2-phenylpropan-2-yl)phenoxy]anthracen-1-olate Openeye Name: sodium 4-amino-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]-9,10-dioxo-anthracen-1-olate CAS Name: sodium 4-amino-9,10-dioxo-3-[4-(2-phenylpropan-2-yl)phenoxy]-1-anthracenolate IUPAC Name: sodium 4-amino-9,10-dioxo-3-[4-(2-phenylpropan-2-yl)phenoxy]anthracen-1-olate Traditional Name: sodium 4-amino-3-(4-cumylphenoxy)-9,10-diketo-anthracen-1-olate Formula: C29H22NNaO4 MolecularWeight: 471.47905

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=C(C4=C(C(=C3)[O-])C(=O)C5=CC=CC=C5C4=O)N.[Na+]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=C(C4=C(C(=C3)[O-])C(=O)C5=CC=CC=C5C4=O)N.[Na+]

InChI

InChI=1S/C29H23NO4.Na/c1-29(2,17-8-4-3-5-9-17)18-12-14-19(15-13-18)34-23-16-22(31)24-25(26(23)30)28(33)21-11-7-6-10-20(21)27(24)32;/h3-16,31H,30H2,1-2H3;/q;+1/p-1