methyl N-[4-[(2E,4Z)-4-phenyl-6,7-disulfooxy-hepta-2,4-dienyl]phenyl]carbamate

Systemtic Name: methyl N-[4-[(2E,4Z)-4-phenyl-6,7-disulfooxy-hepta-2,4-dienyl]phenyl]carbamate Openeye Name: methyl N-[4-[(2E,4Z)-4-phenyl-6,7-disulfooxy-hepta-2,4-dienyl]phenyl]carbamate CAS Name: N-[4-[(2E,4Z)-4-phenyl-6,7-disulfooxyhepta-2,4-dienyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[(2E,4Z)-4-phenyl-6,7-disulfooxyhepta-2,4-dienyl]phenyl]carbamate Traditional Name: N-[4-[(2E,4Z)-4-phenyl-6,7-disulfoxy-hepta-2,4-dienyl]phenyl]carbamic acid methyl ester Formula: C21H23NO10S2 MolecularWeight: 513.53802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC=C(C=C1)CC=CC(=CC(COS(=O)(=O)O)OS(=O)(=O)O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)NC1=CC=C(C=C1)C/C=C/C(=C/C(COS(=O)(=O)O)OS(=O)(=O)O)/C2=CC=CC=C2

InChI

InChI=1S/C21H23NO10S2/c1-30-21(23)22-19-12-10-16(11-13-19)6-5-9-18(17-7-3-2-4-8-17)14-20(32-34(27,28)29)15-31-33(24,25)26/h2-5,7-14,20H,6,15H2,1H3,(H,22,23)(H,24,25,26)(H,27,28,29)/b9-5+,18-14-