6-[5-[4-azanyl-2,3-bis(6-prop-2-enoyloxyhexyl)phenyl]thiophen-2-yl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[5-[4-azanyl-2,3-bis(6-prop-2-enoyloxyhexyl)phenyl]thiophen-2-yl]naphthalene-2-carboxylic acid Openeye Name: 6-[5-[4-amino-2,3-bis(6-prop-2-enoyloxyhexyl)phenyl]-2-thienyl]naphthalene-2-carboxylic acid CAS Name: 6-[5-[4-amino-2,3-bis[6-(1-oxoprop-2-enoxy)hexyl]phenyl]-2-thiophenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[5-[4-amino-2,3-bis(6-prop-2-enoyloxyhexyl)phenyl]thiophen-2-yl]naphthalene-2-carboxylic acid Traditional Name: 6-[5-[2,3-bis(6-acryloyloxyhexyl)-4-amino-phenyl]-2-thienyl]-2-naphthoic acid Formula: C39H43NO6S MolecularWeight: 653.82682

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OCCCCCCC1=C(C=CC(=C1CCCCCCOC(=O)C=C)N)C2=CC=C(S2)C3=CC4=C(C=C3)C=C(C=C4)C(=O)O

Isomeric SMILES

C=CC(=O)OCCCCCCC1=C(C=CC(=C1CCCCCCOC(=O)C=C)N)C2=CC=C(S2)C3=CC4=C(C=C3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C39H43NO6S/c1-3-37(41)45-23-11-7-5-9-13-31-32(14-10-6-8-12-24-46-38(42)4-2)34(40)20-19-33(31)36-22-21-35(47-36)29-17-15-28-26-30(39(43)44)18-16-27(28)25-29/h3-4,15-22,25-26H,1-2,5-14,23-24,40H2,(H,43,44)