3,7-bis[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]dibenzothiophene-2,8-dicarboxylic acid

Systemtic Name: 3,7-bis[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]dibenzothiophene-2,8-dicarboxylic acid Openeye Name: 3,7-bis[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]dibenzothiophene-2,8-dicarboxylic acid CAS Name: 3,7-bis[[(E)-1-oxo-3-(4-phenylphenyl)prop-2-enyl]amino]dibenzothiophene-2,8-dicarboxylic acid IUPAC Name: 3,7-bis[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]dibenzothiophene-2,8-dicarboxylic acid Traditional Name: 3,7-bis[[(E)-3-(4-phenylphenyl)acryloyl]amino]dibenzothiophene-2,8-dicarboxylic acid Formula: C44H30N2O6S MolecularWeight: 714.7838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)NC3=C(C=C4C5=CC(=C(C=C5SC4=C3)NC(=O)C=CC6=CC=C(C=C6)C7=CC=CC=C7)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)NC3=C(C=C4C(=C3)SC5=CC(=C(C=C45)C(=O)O)NC(=O)/C=C/C6=CC=C(C=C6)C7=CC=CC=C7)C(=O)O

InChI

InChI=1S/C44H30N2O6S/c47-41(21-15-27-11-17-31(18-12-27)29-7-3-1-4-8-29)45-37-25-39-33(23-35(37)43(49)50)34-24-36(44(51)52)38(26-40(34)53-39)46-42(48)22-16-28-13-19-32(20-14-28)30-9-5-2-6-10-30/h1-26H,(H,45,47)(H,46,48)(H,49,50)(H,51,52)/b21-15+,22-16+