sodium 4,4-bis[4-(1,3-benzothiazol-2-yloxy)phenyl]pentanoate

Systemtic Name: sodium 4,4-bis[4-(1,3-benzothiazol-2-yloxy)phenyl]pentanoate Openeye Name: sodium 4,4-bis[4-(1,3-benzothiazol-2-yloxy)phenyl]pentanoate CAS Name: sodium 4,4-bis[4-(1,3-benzothiazol-2-yloxy)phenyl]pentanoate IUPAC Name: sodium 4,4-bis[4-(1,3-benzothiazol-2-yloxy)phenyl]pentanoate Traditional Name: sodium 4,4-bis[4-(1,3-benzothiazol-2-yloxy)phenyl]valerate Formula: C31H23N2NaO4S2 MolecularWeight: 574.64509

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])(C1=CC=C(C=C1)OC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC5=NC6=CC=CC=C6S5.[Na+]

Isomeric SMILES

CC(CCC(=O)[O-])(C1=CC=C(C=C1)OC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC5=NC6=CC=CC=C6S5.[Na+]

InChI

InChI=1S/C31H24N2O4S2.Na/c1-31(19-18-28(34)35,20-10-14-22(15-11-20)36-29-32-24-6-2-4-8-26(24)38-29)21-12-16-23(17-13-21)37-30-33-25-7-3-5-9-27(25)39-30;/h2-17H,18-19H2,1H3,(H,34,35);/q;+1/p-1