2-[5-(4-tert-butylphenyl)thiophen-2-yl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-carboxylic acid

Systemtic Name: 2-[5-(4-tert-butylphenyl)thiophen-2-yl]-9-oxidanyl-3H-benzo[e]benzimidazole-7-carboxylic acid Openeye Name: 2-[5-(4-tert-butylphenyl)-2-thienyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid CAS Name: 2-[5-(4-tert-butylphenyl)-2-thiophenyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid IUPAC Name: 2-[5-(4-tert-butylphenyl)thiophen-2-yl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid Traditional Name: 2-[5-(4-tert-butylphenyl)-2-thienyl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC=C(S2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC=C(S2)C3=NC4=C(N3)C=CC5=CC(=CC(=C54)O)C(=O)O

InChI

InChI=1S/C26H22N2O3S/c1-26(2,3)17-7-4-14(5-8-17)20-10-11-21(32-20)24-27-18-9-6-15-12-16(25(30)31)13-19(29)22(15)23(18)28-24/h4-13,29H,1-3H3,(H,27,28)(H,30,31)