9-(4-butylphenyl)-5,5-bis(oxidanylidene)-6,11-dihydrothiochromeno[4,3-b]indole-3-carboxylic acid

Systemtic Name: 9-(4-butylphenyl)-5,5-bis(oxidanylidene)-6,11-dihydrothiochromeno[4,3-b]indole-3-carboxylic acid Openeye Name: 9-(4-butylphenyl)-5,5-dioxo-6,11-dihydrothiochromeno[4,3-b]indole-3-carboxylic acid CAS Name: 9-(4-butylphenyl)-5,5-dioxo-6,11-dihydrothiochromeno[4,3-b]indole-3-carboxylic acid IUPAC Name: 9-(4-butylphenyl)-5,5-dioxo-6,11-dihydrothiochromeno[4,3-b]indole-3-carboxylic acid Traditional Name: 9-(4-butylphenyl)-5,5-diketo-6,11-dihydrothiochromen[4,3-b]indole-3-carboxylic acid Formula: C26H23NO4S MolecularWeight: 445.53012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(N3)C5=C(C=C(C=C5)C(=O)O)S(=O)(=O)C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(N3)C5=C(C=C(C=C5)C(=O)O)S(=O)(=O)C4

InChI

InChI=1S/C26H23NO4S/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-20-22-15-32(30,31)24-14-19(26(28)29)10-12-21(24)25(22)27-23(20)13-18/h5-14,27H,2-4,15H2,1H3,(H,28,29)