4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 3-methyl-2-[(E)-2-thiophen-2-ylethenyl]-4H-pyrimidine

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 3-methyl-2-[(E)-2-thiophen-2-ylethenyl]-4H-pyrimidine Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 3-methyl-2-[(E)-2-(2-thienyl)vinyl]-4H-pyrimidine CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; 3-methyl-2-[(E)-2-thiophen-2-ylethenyl]-4H-pyrimidine IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 3-methyl-2-[(E)-2-thiophen-2-ylethenyl]-4H-pyrimidine Traditional Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid; 3-methyl-2-[(E)-2-(2-thienyl)vinyl]-4H-pyrimidine Formula: C34H28N2O6S MolecularWeight: 592.66092

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=CN=C1C=CC2=CC=CS2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

CN1CC=CN=C1/C=C/C2=CC=CS2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C23H16O6.C11H12N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2-7,9H,8H2,1H3/b;6-5+