3,7-bis[[(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]dibenzothiophene-2,8-dicarboxylic acid

Systemtic Name: 3,7-bis[[(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]dibenzothiophene-2,8-dicarboxylic acid Openeye Name: 3,7-bis[[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoyl]amino]dibenzothiophene-2,8-dicarboxylic acid CAS Name: 3,7-bis[[(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-oxoprop-2-enyl]amino]dibenzothiophene-2,8-dicarboxylic acid IUPAC Name: 3,7-bis[[(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoyl]amino]dibenzothiophene-2,8-dicarboxylic acid Traditional Name: 3,7-bis[[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acryloyl]amino]dibenzothiophene-2,8-dicarboxylic acid Formula: C34H24Br2N2O10S MolecularWeight: 812.43476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NC2=C(C=C3C4=CC(=C(C=C4SC3=C2)NC(=O)C=CC5=CC(=C(C(=C5)Br)O)OC)C(=O)O)C(=O)O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)NC2=C(C=C3C(=C2)SC4=CC(=C(C=C34)C(=O)O)NC(=O)/C=C/C5=CC(=C(C(=C5)Br)O)OC)C(=O)O)Br)O

InChI

InChI=1S/C34H24Br2N2O10S/c1-47-25-9-15(7-21(35)31(25)41)3-5-29(39)37-23-13-27-17(11-19(23)33(43)44)18-12-20(34(45)46)24(14-28(18)49-27)38-30(40)6-4-16-8-22(36)32(42)26(10-16)48-2/h3-14,41-42H,1-2H3,(H,37,39)(H,38,40)(H,43,44)(H,45,46)/b5-3+,6-4+