2-[(3-phenoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]-5-sulfo-terephthalic acid

Systemtic Name: 2-[(3-phenoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]-5-sulfo-terephthalic acid Openeye Name: 2-[(3-phenoxyphenyl)methyl-tetralin-1-yl-carbamoyl]-5-sulfo-terephthalic acid CAS Name: 2-[oxo-[(3-phenoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-5-sulfoterephthalic acid IUPAC Name: 2-[(3-phenoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]-5-sulfoterephthalic acid Traditional Name: 2-[(3-phenoxybenzyl)-tetralin-1-yl-carbamoyl]-5-sulfo-terephthalic acid Formula: C32H27NO9S MolecularWeight: 601.62308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)N(CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)C5=CC(=C(C=C5C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)N(CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)C5=CC(=C(C=C5C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C32H27NO9S/c34-30(25-17-27(32(37)38)29(43(39,40)41)18-26(25)31(35)36)33(28-15-7-10-21-9-4-5-14-24(21)28)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,28H,7,10,15,19H2,(H,35,36)(H,37,38)(H,39,40,41)