4-nonadecan-2-yl-3-[(1-oxidanylnaphthalen-2-yl)carbamoyl]benzenesulfonic acid

Systemtic Name: 4-nonadecan-2-yl-3-[(1-oxidanylnaphthalen-2-yl)carbamoyl]benzenesulfonic acid Openeye Name: 3-[(1-hydroxy-2-naphthyl)carbamoyl]-4-(1-methyloctadecyl)benzenesulfonic acid CAS Name: 3-[[(1-hydroxy-2-naphthalenyl)amino]-oxomethyl]-4-nonadecan-2-ylbenzenesulfonic acid IUPAC Name: 3-[(1-hydroxynaphthalen-2-yl)carbamoyl]-4-nonadecan-2-ylbenzenesulfonic acid Traditional Name: 3-[(1-hydroxy-2-naphthyl)carbamoyl]-4-(1-methyloctadecyl)besylic acid Formula: C36H51NO5S MolecularWeight: 609.85884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)C1=C(C=C(C=C1)S(=O)(=O)O)C(=O)NC2=C(C3=CC=CC=C3C=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)C1=C(C=C(C=C1)S(=O)(=O)O)C(=O)NC2=C(C3=CC=CC=C3C=C2)O

InChI

InChI=1S/C36H51NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(2)31-25-24-30(43(40,41)42)27-33(31)36(39)37-34-26-23-29-21-18-19-22-32(29)35(34)38/h18-19,21-28,38H,3-17,20H2,1-2H3,(H,37,39)(H,40,41,42)