3-[4-(6-carboxy-2-propyl-1H-indol-3-yl)-2,5-bis(oxidanyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-2-propyl-1H-indole-6-carboxylic acid

Systemtic Name: 3-[4-(6-carboxy-2-propyl-1H-indol-3-yl)-2,5-bis(oxidanyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-2-propyl-1H-indole-6-carboxylic acid Openeye Name: 3-[4-(6-carboxy-2-propyl-1H-indol-3-yl)-2,5-dihydroxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl]-2-propyl-1H-indole-6-carboxylic acid CAS Name: 3-[4-(6-carboxy-2-propyl-1H-indol-3-yl)-2,5-dihydroxy-3,6-dioxo-1-cyclohexa-1,4-dienyl]-2-propyl-1H-indole-6-carboxylic acid IUPAC Name: 3-[4-(6-carboxy-2-propyl-1H-indol-3-yl)-2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-propyl-1H-indole-6-carboxylic acid Traditional Name: 3-[4-(6-carboxy-2-propyl-1H-indol-3-yl)-2,5-dihydroxy-3,6-diketo-cyclohexa-1,4-dien-1-yl]-2-propyl-1H-indole-6-carboxylic acid Formula: C30H26N2O8 MolecularWeight: 542.53604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1)C=C(C=C2)C(=O)O)C3=C(C(=O)C(=C(C3=O)O)C4=C(NC5=C4C=CC(=C5)C(=O)O)CCC)O

Isomeric SMILES

CCCC1=C(C2=C(N1)C=C(C=C2)C(=O)O)C3=C(C(=O)C(=C(C3=O)O)C4=C(NC5=C4C=CC(=C5)C(=O)O)CCC)O

InChI

InChI=1S/C30H26N2O8/c1-3-5-17-21(15-9-7-13(29(37)38)11-19(15)31-17)23-25(33)27(35)24(28(36)26(23)34)22-16-10-8-14(30(39)40)12-20(16)32-18(22)6-4-2/h7-12,31-33,36H,3-6H2,1-2H3,(H,37,38)(H,39,40)