1-[bis(phenylmethoxycarbonyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid

Systemtic Name: 1-[bis(phenylmethoxycarbonyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Openeye Name: 1-[bis(benzyloxycarbonyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid CAS Name: 1-[bis(phenylmethoxycarbonyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)-1-butanesulfonic acid IUPAC Name: 1-[bis(phenylmethoxycarbonyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Traditional Name: 1-[bis(carbobenzoxyoxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Formula: C34H35O13PS MolecularWeight: 714.672661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)OCOP(=O)(C(CCCC2=CC(=CC=C2)OC3=CC=CC=C3)S(=O)(=O)O)OCOC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)OCOP(=O)(C(CCCC2=CC(=CC=C2)OC3=CC=CC=C3)S(=O)(=O)O)OCOC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C34H35O13PS/c35-33(41-23-28-12-4-1-5-13-28)43-25-45-48(37,46-26-44-34(36)42-24-29-14-6-2-7-15-29)32(49(38,39)40)21-11-17-27-16-10-20-31(22-27)47-30-18-8-3-9-19-30/h1-10,12-16,18-20,22,32H,11,17,21,23-26H2,(H,38,39,40)