2-(3-formamido-8,8-dimethyl-5-phenylsulfanyl-7H-naphthalen-1-yl)benzoic acid

Systemtic Name: 2-(3-formamido-8,8-dimethyl-5-phenylsulfanyl-7H-naphthalen-1-yl)benzoic acid Openeye Name: 2-(3-formamido-8,8-dimethyl-5-phenylsulfanyl-7H-naphthalen-1-yl)benzoic acid CAS Name: 2-[3-formamido-8,8-dimethyl-5-(phenylthio)-7H-naphthalen-1-yl]benzoic acid IUPAC Name: 2-(3-formamido-8,8-dimethyl-5-phenylsulfanyl-7H-naphthalen-1-yl)benzoic acid Traditional Name: 2-[3-formamido-8,8-dimethyl-5-(phenylthio)-7H-naphthalen-1-yl]benzoic acid Formula: C26H23NO3S MolecularWeight: 429.53072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C(=CC(=C2)NC=O)C3=CC=CC=C3C(=O)O)SC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC=C(C2=C1C(=CC(=C2)NC=O)C3=CC=CC=C3C(=O)O)SC4=CC=CC=C4)C

InChI

InChI=1S/C26H23NO3S/c1-26(2)13-12-23(31-18-8-4-3-5-9-18)22-15-17(27-16-28)14-21(24(22)26)19-10-6-7-11-20(19)25(29)30/h3-12,14-16H,13H2,1-2H3,(H,27,28)(H,29,30)